data_nef_c19684_2mio save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MIO stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 HIS middle . . 11 A 11 MET middle . . 12 A 12 ILE middle . . 13 A 13 ARG middle . . 14 A 14 SER middle . . 15 A 15 ARG middle . . 16 A 16 LYS middle . . 17 A 17 ALA middle . . 18 A 18 ARG middle . . 19 A 19 ALA middle . . 20 A 20 VAL middle . . 21 A 21 TYR middle . . 22 A 22 PRO middle . false 23 A 23 CYS middle . . 24 A 24 GLU middle . . 25 A 25 ALA middle . . 26 A 26 GLU middle . . 27 A 27 HIS middle . . 28 A 28 SER middle . . 29 A 29 SER middle . . 30 A 30 GLU middle . . 31 A 31 LEU middle . . 32 A 32 SER middle . . 33 A 33 PHE middle . . 34 A 34 GLU middle . . 35 A 35 ILE middle . . 36 A 36 GLY middle . false 37 A 37 ALA middle . . 38 A 38 ILE middle . . 39 A 39 PHE middle . . 40 A 40 GLU middle . . 41 A 41 ASP middle . . 42 A 42 VAL middle . . 43 A 43 GLN middle . . 44 A 44 THR middle . . 45 A 45 SER middle . . 46 A 46 ARG middle . . 47 A 47 GLU middle . . 48 A 48 PRO middle . false 49 A 49 GLY middle . false 50 A 50 TRP middle . . 51 A 51 LEU middle . . 52 A 52 GLU middle . . 53 A 53 GLY middle . false 54 A 54 THR middle . . 55 A 55 LEU middle . . 56 A 56 ASN middle . . 57 A 57 GLY middle . false 58 A 58 LYS middle . . 59 A 59 ARG middle . . 60 A 60 GLY middle . false 61 A 61 LEU middle . . 62 A 62 ILE middle . . 63 A 63 PRO middle . false 64 A 64 GLN middle . . 65 A 65 ASN middle . . 66 A 66 TYR middle . . 67 A 67 VAL middle . . 68 A 68 LYS middle . . 69 A 69 LEU middle . . 70 A 70 LEU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 GLY H H 1 8.251 0.000 A 2 GLY HA2 H 1 3.781 0.000 A 2 GLY HA3 H 1 3.781 0.000 A 2 GLY CA C 13 43.362 0.000 A 2 GLY N N 15 113.935 0.000 A 9 SER HA H 1 4.375 0.000 A 9 SER HBy H 1 3.833 0.000 A 9 SER HBx H 1 3.798 0.000 A 9 SER CA C 13 58.422 0.000 A 9 SER CB C 13 63.552 0.000 A 10 HIS HA H 1 4.622 0.000 A 10 HIS HB2 H 1 3.089 0.000 A 10 HIS HB3 H 1 3.089 0.000 A 10 HIS HD2 H 1 6.989 0.000 A 10 HIS C C 13 174.853 0.000 A 10 HIS CA C 13 55.967 0.000 A 10 HIS CB C 13 30.242 0.000 A 11 MET H H 1 8.210 0.000 A 11 MET HA H 1 4.432 0.000 A 11 MET HBy H 1 2.003 0.000 A 11 MET HBx H 1 1.941 0.000 A 11 MET HGy H 1 2.461 0.000 A 11 MET HGx H 1 2.419 0.000 A 11 MET C C 13 175.804 0.000 A 11 MET CA C 13 55.487 0.000 A 11 MET CB C 13 32.712 0.000 A 11 MET CG C 13 31.842 0.000 A 11 MET N N 15 121.242 0.000 A 12 ILE H H 1 8.236 0.000 A 12 ILE HA H 1 4.173 0.000 A 12 ILE HB H 1 1.849 0.000 A 12 ILE HD1% H 1 0.819 0.000 A 12 ILE HG1y H 1 1.452 0.000 A 12 ILE HG1x H 1 1.153 0.000 A 12 ILE HG2% H 1 0.870 0.000 A 12 ILE C C 13 175.916 0.000 A 12 ILE CA C 13 60.878 0.000 A 12 ILE CB C 13 38.534 0.000 A 12 ILE CD1 C 13 12.785 0.000 A 12 ILE CG1 C 13 27.081 0.000 A 12 ILE CG2 C 13 17.462 0.000 A 12 ILE N N 15 122.708 0.000 A 13 ARG H H 1 8.386 0.000 A 13 ARG HA H 1 4.472 0.000 A 13 ARG HBx H 1 1.775 0.000 A 13 ARG HBy H 1 1.879 0.000 A 13 ARG HD2 H 1 3.185 0.000 A 13 ARG HD3 H 1 3.185 0.000 A 13 ARG HG2 H 1 1.624 0.000 A 13 ARG HG3 H 1 1.624 0.000 A 13 ARG C C 13 175.573 0.000 A 13 ARG CA C 13 55.645 0.000 A 13 ARG CB C 13 31.256 0.000 A 13 ARG CD C 13 43.199 0.000 A 13 ARG CG C 13 27.087 0.000 A 13 ARG N N 15 125.079 0.000 A 14 SER H H 1 8.386 0.000 A 14 SER HA H 1 4.441 0.000 A 14 SER HBy H 1 3.912 0.000 A 14 SER HBx H 1 3.880 0.000 A 14 SER C C 13 174.090 0.000 A 14 SER CA C 13 58.062 0.000 A 14 SER CB C 13 63.638 0.000 A 14 SER N N 15 117.250 0.000 A 15 ARG H H 1 8.721 0.000 A 15 ARG HA H 1 4.651 0.000 A 15 ARG HBx H 1 1.787 0.000 A 15 ARG HBy H 1 2.104 0.000 A 15 ARG HD2 H 1 3.269 0.000 A 15 ARG HD3 H 1 3.269 0.000 A 15 ARG HE H 1 7.434 0.000 A 15 ARG HGy H 1 1.779 0.000 A 15 ARG HGx H 1 1.707 0.000 A 15 ARG C C 13 174.913 0.000 A 15 ARG CA C 13 54.960 0.000 A 15 ARG CB C 13 31.574 0.000 A 15 ARG CD C 13 42.770 0.000 A 15 ARG CG C 13 26.762 0.000 A 15 ARG N N 15 123.266 0.000 A 15 ARG NE N 15 83.624 0.000 A 16 LYS H H 1 8.406 0.000 A 16 LYS HA H 1 5.315 0.000 A 16 LYS HBx H 1 1.698 0.000 A 16 LYS HBy H 1 1.870 0.000 A 16 LYS HD2 H 1 1.639 0.000 A 16 LYS HD3 H 1 1.639 0.000 A 16 LYS HE2 H 1 2.965 0.000 A 16 LYS HE3 H 1 2.965 0.000 A 16 LYS HG2 H 1 1.588 0.000 A 16 LYS HG3 H 1 1.588 0.000 A 16 LYS C C 13 175.755 0.000 A 16 LYS CA C 13 54.926 0.000 A 16 LYS CB C 13 36.741 0.000 A 16 LYS CD C 13 29.469 0.000 A 16 LYS CE C 13 42.059 0.000 A 16 LYS CG C 13 25.999 0.000 A 16 LYS N N 15 120.105 0.000 A 17 ALA H H 1 8.310 0.000 A 17 ALA HA H 1 5.256 0.000 A 17 ALA HB% H 1 1.193 0.000 A 17 ALA C C 13 173.884 0.000 A 17 ALA CA C 13 50.673 0.000 A 17 ALA CB C 13 23.580 0.000 A 17 ALA N N 15 118.564 0.000 A 18 ARG H H 1 9.008 0.000 A 18 ARG HA H 1 5.755 0.000 A 18 ARG HBy H 1 1.648 0.000 A 18 ARG HBx H 1 1.563 0.000 A 18 ARG HD2 H 1 3.168 0.000 A 18 ARG HD3 H 1 3.168 0.000 A 18 ARG HG2 H 1 1.440 0.000 A 18 ARG HG3 H 1 1.440 0.000 A 18 ARG C C 13 176.196 0.000 A 18 ARG CA C 13 53.023 0.000 A 18 ARG CB C 13 34.603 0.000 A 18 ARG CD C 13 43.347 0.000 A 18 ARG CG C 13 27.163 0.000 A 18 ARG N N 15 119.872 0.000 A 19 ALA H H 1 9.456 0.000 A 19 ALA HA H 1 4.828 0.000 A 19 ALA HB% H 1 1.889 0.000 A 19 ALA C C 13 178.887 0.000 A 19 ALA CA C 13 53.215 0.000 A 19 ALA CB C 13 21.164 0.000 A 19 ALA N N 15 127.577 0.000 A 20 VAL H H 1 9.261 0.000 A 20 VAL HA H 1 4.233 0.000 A 20 VAL HB H 1 2.004 0.000 A 20 VAL HG1% H 1 0.706 0.000 A 20 VAL HG2% H 1 0.598 0.000 A 20 VAL C C 13 173.478 0.000 A 20 VAL CA C 13 61.659 0.000 A 20 VAL CB C 13 32.406 0.000 A 20 VAL CG1 C 13 21.622 0.000 A 20 VAL CG2 C 13 19.067 0.000 A 20 VAL N N 15 120.989 0.000 A 21 TYR H H 1 7.740 0.000 A 21 TYR HA H 1 4.917 0.000 A 21 TYR HBy H 1 2.781 0.000 A 21 TYR HBx H 1 2.177 0.000 A 21 TYR HD1 H 1 6.829 0.000 A 21 TYR HD2 H 1 6.829 0.000 A 21 TYR HE1 H 1 6.733 0.000 A 21 TYR HE2 H 1 6.733 0.000 A 21 TYR C C 13 171.768 0.000 A 21 TYR CA C 13 54.783 0.000 A 21 TYR CB C 13 41.028 0.000 A 21 TYR CD2 C 13 133.178 0.000 A 21 TYR CE2 C 13 117.821 0.000 A 21 TYR N N 15 120.793 0.000 A 22 PRO HA H 1 4.569 0.000 A 22 PRO HB2 H 1 2.035 0.000 A 22 PRO HB3 H 1 2.320 0.000 A 22 PRO HD2 H 1 3.404 0.000 A 22 PRO HD3 H 1 3.496 0.000 A 22 PRO HGy H 1 2.107 0.000 A 22 PRO HGx H 1 1.951 0.000 A 22 PRO C C 13 175.447 0.000 A 22 PRO CA C 13 61.784 0.000 A 22 PRO CB C 13 32.301 0.000 A 22 PRO CD C 13 48.901 0.000 A 22 PRO CG C 13 25.985 0.000 A 23 CYS H H 1 8.265 0.000 A 23 CYS HA H 1 4.369 0.000 A 23 CYS HBx H 1 1.075 0.000 A 23 CYS HBy H 1 1.962 0.000 A 23 CYS C C 13 173.409 0.000 A 23 CYS CA C 13 58.325 0.000 A 23 CYS CB C 13 30.008 0.000 A 23 CYS N N 15 117.584 0.000 A 24 GLU H H 1 8.594 0.000 A 24 GLU HA H 1 4.539 0.000 A 24 GLU HBy H 1 1.945 0.000 A 24 GLU HBx H 1 1.851 0.000 A 24 GLU HG2 H 1 2.167 0.000 A 24 GLU HG3 H 1 2.167 0.000 A 24 GLU C C 13 174.814 0.000 A 24 GLU CA C 13 54.416 0.000 A 24 GLU CB C 13 30.172 0.000 A 24 GLU CG C 13 35.663 0.000 A 24 GLU N N 15 131.184 0.000 A 25 ALA H H 1 8.555 0.000 A 25 ALA HA H 1 4.180 0.000 A 25 ALA HB% H 1 1.334 0.000 A 25 ALA C C 13 178.154 0.000 A 25 ALA CA C 13 52.809 0.000 A 25 ALA CB C 13 20.779 0.000 A 25 ALA N N 15 128.937 0.000 A 26 GLU H H 1 8.613 0.000 A 26 GLU HA H 1 4.268 0.000 A 26 GLU HB2 H 1 1.831 0.000 A 26 GLU HB3 H 1 1.831 0.000 A 26 GLU HGy H 1 2.217 0.000 A 26 GLU HGx H 1 2.037 0.000 A 26 GLU C C 13 175.916 0.000 A 26 GLU CA C 13 56.345 0.000 A 26 GLU CB C 13 31.091 0.000 A 26 GLU CG C 13 36.188 0.000 A 26 GLU N N 15 119.582 0.000 A 27 HIS H H 1 7.418 0.000 A 27 HIS HBy H 1 3.237 0.000 A 27 HIS HBx H 1 2.790 0.000 A 27 HIS HD2 H 1 7.308 0.000 A 27 HIS HE1 H 1 8.241 0.000 A 27 HIS C C 13 175.986 0.000 A 27 HIS CA C 13 54.711 0.000 A 27 HIS CB C 13 32.077 0.000 A 27 HIS CD2 C 13 119.795 0.000 A 27 HIS CE1 C 13 136.761 0.000 A 27 HIS N N 15 115.533 0.000 A 27 HIS ND1 N 15 173.671 0.000 A 27 HIS NE2 N 15 200.107 0.000 A 28 SER HA H 1 4.255 0.000 A 28 SER HBy H 1 3.968 0.000 A 28 SER HBx H 1 3.925 0.000 A 28 SER C C 13 174.619 0.000 A 28 SER CA C 13 60.985 0.000 A 28 SER CB C 13 62.890 0.000 A 29 SER H H 1 8.207 0.000 A 29 SER HA H 1 4.405 0.000 A 29 SER HBy H 1 3.937 0.000 A 29 SER HBx H 1 3.904 0.000 A 29 SER C C 13 174.305 0.000 A 29 SER CA C 13 58.564 0.000 A 29 SER CB C 13 62.953 0.000 A 29 SER N N 15 114.287 0.000 A 30 GLU H H 1 7.798 0.000 A 30 GLU HA H 1 4.690 0.000 A 30 GLU HB2 H 1 2.223 0.000 A 30 GLU HB3 H 1 2.380 0.000 A 30 GLU HG2 H 1 2.079 0.000 A 30 GLU HG3 H 1 2.079 0.000 A 30 GLU C C 13 175.373 0.000 A 30 GLU CA C 13 54.894 0.000 A 30 GLU CB C 13 31.495 0.000 A 30 GLU CG C 13 35.588 0.000 A 30 GLU N N 15 122.312 0.000 A 31 LEU H H 1 8.084 0.000 A 31 LEU HA H 1 4.686 0.000 A 31 LEU HB2 H 1 1.881 0.000 A 31 LEU HB3 H 1 1.690 0.000 A 31 LEU HD1% H 1 1.039 0.000 A 31 LEU HD2% H 1 0.913 0.000 A 31 LEU HG H 1 1.454 0.000 A 31 LEU C C 13 177.013 0.000 A 31 LEU CA C 13 54.627 0.000 A 31 LEU CB C 13 43.640 0.000 A 31 LEU CD1 C 13 26.275 0.000 A 31 LEU CD2 C 13 21.809 0.000 A 31 LEU CG C 13 27.343 0.000 A 31 LEU N N 15 118.829 0.000 A 32 SER H H 1 8.054 0.000 A 32 SER HA H 1 4.863 0.000 A 32 SER HBx H 1 3.800 0.000 A 32 SER HBy H 1 4.097 0.000 A 32 SER C C 13 173.966 0.000 A 32 SER CA C 13 57.745 0.000 A 32 SER CB C 13 64.735 0.000 A 32 SER N N 15 115.422 0.000 A 33 PHE H H 1 8.697 0.000 A 33 PHE HA H 1 4.889 0.000 A 33 PHE HB2 H 1 2.966 0.000 A 33 PHE HB3 H 1 3.479 0.000 A 33 PHE HD1 H 1 6.952 0.000 A 33 PHE HD2 H 1 6.952 0.000 A 33 PHE HZ H 1 7.132 0.000 A 33 PHE C C 13 173.660 0.000 A 33 PHE CA C 13 56.261 0.000 A 33 PHE CB C 13 39.272 0.000 A 33 PHE CD1 C 13 133.678 0.000 A 33 PHE CZ C 13 129.425 0.000 A 33 PHE N N 15 116.920 0.000 A 34 GLU H H 1 8.616 0.000 A 34 GLU HA H 1 4.622 0.000 A 34 GLU HBx H 1 1.881 0.000 A 34 GLU HBy H 1 2.215 0.000 A 34 GLU HGy H 1 2.375 0.000 A 34 GLU HGx H 1 2.312 0.000 A 34 GLU C C 13 176.044 0.000 A 34 GLU CA C 13 53.759 0.000 A 34 GLU CB C 13 31.878 0.000 A 34 GLU CG C 13 36.019 0.000 A 34 GLU N N 15 119.852 0.000 A 35 ILE H H 1 8.428 0.000 A 35 ILE HA H 1 3.173 0.000 A 35 ILE HB H 1 1.562 0.000 A 35 ILE HD1% H 1 0.945 0.000 A 35 ILE HG12 H 1 0.636 0.000 A 35 ILE HG13 H 1 1.459 0.000 A 35 ILE HG2% H 1 0.835 0.000 A 35 ILE C C 13 177.205 0.000 A 35 ILE CA C 13 64.926 0.000 A 35 ILE CB C 13 38.013 0.000 A 35 ILE CD1 C 13 14.059 0.000 A 35 ILE CG1 C 13 29.456 0.000 A 35 ILE CG2 C 13 17.058 0.000 A 35 ILE N N 15 118.386 0.000 A 36 GLY H H 1 8.568 0.000 A 36 GLY HA2 H 1 3.460 0.000 A 36 GLY HA3 H 1 4.391 0.000 A 36 GLY C C 13 173.669 0.000 A 36 GLY CA C 13 44.601 0.000 A 36 GLY N N 15 114.528 0.000 A 37 ALA H H 1 7.564 0.000 A 37 ALA HA H 1 3.975 0.000 A 37 ALA HB% H 1 1.175 0.000 A 37 ALA C C 13 175.106 0.000 A 37 ALA CA C 13 53.061 0.000 A 37 ALA CB C 13 19.337 0.000 A 37 ALA N N 15 123.910 0.000 A 38 ILE H H 1 7.843 0.000 A 38 ILE HA H 1 4.867 0.000 A 38 ILE HB H 1 1.785 0.000 A 38 ILE HD1% H 1 0.769 0.000 A 38 ILE HG1y H 1 1.542 0.000 A 38 ILE HG1x H 1 1.309 0.000 A 38 ILE HG2% H 1 0.823 0.000 A 38 ILE C C 13 174.910 0.000 A 38 ILE CA C 13 58.050 0.000 A 38 ILE CB C 13 38.080 0.000 A 38 ILE CD1 C 13 11.020 0.000 A 38 ILE CG1 C 13 26.472 0.000 A 38 ILE CG2 C 13 16.965 0.000 A 38 ILE N N 15 120.298 0.000 A 39 PHE H H 1 8.884 0.000 A 39 PHE HA H 1 4.889 0.000 A 39 PHE HB2 H 1 2.410 0.000 A 39 PHE HB3 H 1 2.594 0.000 A 39 PHE HD1 H 1 6.609 0.000 A 39 PHE HD2 H 1 6.609 0.000 A 39 PHE HE1 H 1 6.588 0.000 A 39 PHE HE2 H 1 6.588 0.000 A 39 PHE HZ H 1 5.030 0.000 A 39 PHE C C 13 175.106 0.000 A 39 PHE CA C 13 55.542 0.000 A 39 PHE CB C 13 42.173 0.000 A 39 PHE CD1 C 13 131.074 0.000 A 39 PHE CE1 C 13 130.829 0.000 A 39 PHE CZ C 13 128.341 0.000 A 39 PHE N N 15 124.481 0.000 A 40 GLU H H 1 9.047 0.000 A 40 GLU HA H 1 4.788 0.000 A 40 GLU HB2 H 1 1.807 0.000 A 40 GLU HB3 H 1 2.095 0.000 A 40 GLU HGy H 1 2.301 0.000 A 40 GLU HGx H 1 2.189 0.000 A 40 GLU C C 13 175.797 0.000 A 40 GLU CA C 13 53.945 0.000 A 40 GLU CB C 13 32.928 0.000 A 40 GLU CG C 13 36.097 0.000 A 40 GLU N N 15 117.747 0.000 A 41 ASP H H 1 8.875 0.000 A 41 ASP HA H 1 4.331 0.000 A 41 ASP HBx H 1 2.507 0.000 A 41 ASP HBy H 1 2.919 0.000 A 41 ASP C C 13 175.720 0.000 A 41 ASP CA C 13 54.842 0.000 A 41 ASP CB C 13 39.241 0.000 A 41 ASP N N 15 120.461 0.000 A 42 VAL H H 1 8.932 0.000 A 42 VAL HA H 1 4.788 0.000 A 42 VAL HB H 1 1.579 0.000 A 42 VAL HG1% H 1 0.642 0.000 A 42 VAL HG2% H 1 0.731 0.000 A 42 VAL C C 13 176.652 0.000 A 42 VAL CA C 13 62.583 0.000 A 42 VAL CB C 13 31.408 0.000 A 42 VAL CG1 C 13 22.812 0.000 A 42 VAL CG2 C 13 23.664 0.000 A 42 VAL N N 15 120.471 0.000 A 43 GLN H H 1 9.057 0.000 A 43 GLN HA H 1 4.859 0.000 A 43 GLN HBx H 1 1.794 0.000 A 43 GLN HBy H 1 2.215 0.000 A 43 GLN HE21 H 1 7.593 0.000 A 43 GLN HE22 H 1 6.715 0.000 A 43 GLN HG2 H 1 2.239 0.000 A 43 GLN HG3 H 1 2.239 0.000 A 43 GLN C C 13 174.928 0.000 A 43 GLN CA C 13 53.436 0.000 A 43 GLN CB C 13 33.482 0.000 A 43 GLN CG C 13 33.047 0.000 A 43 GLN N N 15 124.450 0.000 A 43 GLN NE2 N 15 112.049 0.000 A 44 THR H H 1 8.640 0.000 A 44 THR HA H 1 4.149 0.000 A 44 THR HB H 1 4.197 0.000 A 44 THR HG2% H 1 1.374 0.000 A 44 THR C C 13 174.138 0.000 A 44 THR CA C 13 64.288 0.000 A 44 THR CB C 13 69.164 0.000 A 44 THR CG2 C 13 22.257 0.000 A 44 THR N N 15 116.345 0.000 A 45 SER H H 1 7.971 0.000 A 45 SER HA H 1 4.670 0.000 A 45 SER HBx H 1 3.782 0.000 A 45 SER HBy H 1 3.914 0.000 A 45 SER C C 13 174.304 0.000 A 45 SER CA C 13 57.064 0.000 A 45 SER CB C 13 65.275 0.000 A 45 SER N N 15 119.635 0.000 A 46 ARG H H 1 8.491 0.000 A 46 ARG HA H 1 4.170 0.000 A 46 ARG HBy H 1 1.889 0.000 A 46 ARG HBx H 1 1.841 0.000 A 46 ARG HD2 H 1 3.188 0.000 A 46 ARG HD3 H 1 3.188 0.000 A 46 ARG HG2 H 1 1.661 0.000 A 46 ARG HG3 H 1 1.661 0.000 A 46 ARG C C 13 176.486 0.000 A 46 ARG CA C 13 57.675 0.000 A 46 ARG CB C 13 30.019 0.000 A 46 ARG CD C 13 43.176 0.000 A 46 ARG CG C 13 27.065 0.000 A 46 ARG N N 15 120.482 0.000 A 47 GLU H H 1 8.530 0.000 A 47 GLU HA H 1 4.820 0.000 A 47 GLU HB2 H 1 1.811 0.000 A 47 GLU HB3 H 1 1.966 0.000 A 47 GLU HG2 H 1 2.117 0.000 A 47 GLU HG3 H 1 2.117 0.000 A 47 GLU C C 13 173.926 0.000 A 47 GLU CA C 13 52.716 0.000 A 47 GLU CB C 13 30.039 0.000 A 47 GLU CG C 13 35.283 0.000 A 47 GLU N N 15 121.489 0.000 A 48 PRO HA H 1 4.363 0.000 A 48 PRO HBx H 1 1.930 0.000 A 48 PRO HBy H 1 2.299 0.000 A 48 PRO HDy H 1 4.091 0.000 A 48 PRO HDx H 1 3.792 0.000 A 48 PRO HGy H 1 2.157 0.000 A 48 PRO HGx H 1 2.004 0.000 A 48 PRO C C 13 177.954 0.000 A 48 PRO CA C 13 63.672 0.000 A 48 PRO CB C 13 31.798 0.000 A 48 PRO CD C 13 50.931 0.000 A 48 PRO CG C 13 27.565 0.000 A 49 GLY H H 1 8.660 0.000 A 49 GLY HAx H 1 3.537 0.000 A 49 GLY HAy H 1 4.158 0.000 A 49 GLY C C 13 174.196 0.000 A 49 GLY CA C 13 44.965 0.000 A 49 GLY N N 15 110.220 0.000 A 50 TRP H H 1 8.025 0.000 A 50 TRP HA H 1 5.098 0.000 A 50 TRP HB2 H 1 3.158 0.000 A 50 TRP HB3 H 1 3.158 0.000 A 50 TRP HD1 H 1 6.990 0.000 A 50 TRP HE1 H 1 10.084 0.000 A 50 TRP HE3 H 1 7.310 0.000 A 50 TRP HH2 H 1 7.158 0.000 A 50 TRP HZ2 H 1 7.349 0.000 A 50 TRP HZ3 H 1 6.793 0.000 A 50 TRP C C 13 175.686 0.000 A 50 TRP CA C 13 56.460 0.000 A 50 TRP CB C 13 31.745 0.000 A 50 TRP CD1 C 13 127.882 0.000 A 50 TRP CE3 C 13 119.982 0.000 A 50 TRP CH2 C 13 124.841 0.000 A 50 TRP CZ2 C 13 114.303 0.000 A 50 TRP CZ3 C 13 120.623 0.000 A 50 TRP N N 15 120.527 0.000 A 50 TRP NE1 N 15 129.005 0.000 A 51 LEU H H 1 9.635 0.000 A 51 LEU HA H 1 4.966 0.000 A 51 LEU HB2 H 1 1.373 0.000 A 51 LEU HB3 H 1 1.373 0.000 A 51 LEU HD1% H 1 0.558 0.000 A 51 LEU HD2% H 1 0.770 0.000 A 51 LEU HG H 1 1.339 0.000 A 51 LEU C C 13 175.162 0.000 A 51 LEU CA C 13 52.643 0.000 A 51 LEU CB C 13 44.214 0.000 A 51 LEU CD1 C 13 26.367 0.000 A 51 LEU CD2 C 13 22.507 0.000 A 51 LEU CG C 13 27.076 0.000 A 51 LEU N N 15 123.575 0.000 A 52 GLU H H 1 9.144 0.000 A 52 GLU HA H 1 5.180 0.000 A 52 GLU HB2 H 1 1.707 0.000 A 52 GLU HB3 H 1 1.855 0.000 A 52 GLU HG2 H 1 2.060 0.000 A 52 GLU HG3 H 1 2.060 0.000 A 52 GLU C C 13 175.082 0.000 A 52 GLU CA C 13 54.693 0.000 A 52 GLU CB C 13 32.735 0.000 A 52 GLU CG C 13 37.121 0.000 A 52 GLU N N 15 119.825 0.000 A 53 GLY H H 1 8.500 0.000 A 53 GLY HA2 H 1 4.547 0.000 A 53 GLY HA3 H 1 3.422 0.000 A 53 GLY C C 13 170.278 0.000 A 53 GLY CA C 13 45.500 0.000 A 53 GLY N N 15 106.528 0.000 A 54 THR H H 1 9.085 0.000 A 54 THR HA H 1 5.334 0.000 A 54 THR HB H 1 3.966 0.000 A 54 THR HG2% H 1 1.043 0.000 A 54 THR C C 13 173.549 0.000 A 54 THR CA C 13 61.186 0.000 A 54 THR CB C 13 69.935 0.000 A 54 THR CG2 C 13 22.441 0.000 A 54 THR N N 15 115.540 0.000 A 55 LEU H H 1 9.368 0.000 A 55 LEU HA H 1 4.842 0.000 A 55 LEU HB2 H 1 1.401 0.000 A 55 LEU HB3 H 1 2.029 0.000 A 55 LEU HD1% H 1 0.618 0.000 A 55 LEU HD2% H 1 1.039 0.000 A 55 LEU HG H 1 1.425 0.000 A 55 LEU C C 13 176.045 0.000 A 55 LEU CA C 13 53.387 0.000 A 55 LEU CB C 13 45.579 0.000 A 55 LEU CD1 C 13 23.062 0.000 A 55 LEU CD2 C 13 26.905 0.000 A 55 LEU CG C 13 27.370 0.000 A 55 LEU N N 15 128.613 0.000 A 56 ASN H H 1 9.670 0.000 A 56 ASN HA H 1 4.403 0.000 A 56 ASN HBx H 1 2.794 0.000 A 56 ASN HBy H 1 3.069 0.000 A 56 ASN HD2y H 1 7.749 0.000 A 56 ASN HD2x H 1 6.990 0.000 A 56 ASN C C 13 175.457 0.000 A 56 ASN CA C 13 54.126 0.000 A 56 ASN CB C 13 37.291 0.000 A 56 ASN N N 15 128.674 0.000 A 56 ASN ND2 N 15 113.159 0.000 A 57 GLY H H 1 8.441 0.000 A 57 GLY HAx H 1 3.551 0.000 A 57 GLY HAy H 1 4.203 0.000 A 57 GLY C C 13 173.175 0.000 A 57 GLY CA C 13 45.263 0.000 A 57 GLY N N 15 102.683 0.000 A 58 LYS H H 1 7.847 0.000 A 58 LYS HA H 1 4.621 0.000 A 58 LYS HB2 H 1 1.825 0.000 A 58 LYS HB3 H 1 1.962 0.000 A 58 LYS HD2 H 1 1.774 0.000 A 58 LYS HD3 H 1 1.774 0.000 A 58 LYS HE2 H 1 3.079 0.000 A 58 LYS HE3 H 1 3.079 0.000 A 58 LYS HGy H 1 1.486 0.000 A 58 LYS HGx H 1 1.344 0.000 A 58 LYS C C 13 173.237 0.000 A 58 LYS CA C 13 54.962 0.000 A 58 LYS CB C 13 34.303 0.000 A 58 LYS CD C 13 29.001 0.000 A 58 LYS CE C 13 42.291 0.000 A 58 LYS CG C 13 24.927 0.000 A 58 LYS N N 15 122.749 0.000 A 59 ARG H H 1 8.741 0.000 A 59 ARG HA H 1 5.417 0.000 A 59 ARG HBx H 1 1.550 0.000 A 59 ARG HBy H 1 1.840 0.000 A 59 ARG HDy H 1 3.075 0.000 A 59 ARG HDx H 1 3.005 0.000 A 59 ARG HE H 1 7.439 0.000 A 59 ARG HG2 H 1 1.505 0.000 A 59 ARG HG3 H 1 1.505 0.000 A 59 ARG C C 13 176.486 0.000 A 59 ARG CA C 13 54.079 0.000 A 59 ARG CB C 13 31.815 0.000 A 59 ARG CD C 13 43.462 0.000 A 59 ARG CG C 13 27.163 0.000 A 59 ARG N N 15 127.435 0.000 A 59 ARG NE N 15 85.223 0.000 A 60 GLY H H 1 8.745 0.000 A 60 GLY HA2 H 1 4.421 0.000 A 60 GLY HA3 H 1 3.864 0.000 A 60 GLY C C 13 170.709 0.000 A 60 GLY CA C 13 45.648 0.000 A 60 GLY N N 15 112.447 0.000 A 61 LEU H H 1 8.527 0.000 A 61 LEU HA H 1 5.330 0.000 A 61 LEU HB2 H 1 1.406 0.000 A 61 LEU HB3 H 1 1.594 0.000 A 61 LEU HD1% H 1 0.354 0.000 A 61 LEU HD2% H 1 0.721 0.000 A 61 LEU HG H 1 1.606 0.000 A 61 LEU C C 13 178.461 0.000 A 61 LEU CA C 13 54.784 0.000 A 61 LEU CB C 13 44.075 0.000 A 61 LEU CD1 C 13 24.863 0.000 A 61 LEU CD2 C 13 23.074 0.000 A 61 LEU CG C 13 27.362 0.000 A 61 LEU N N 15 117.631 0.000 A 62 ILE H H 1 9.387 0.000 A 62 ILE HA H 1 4.899 0.000 A 62 ILE HB H 1 1.187 0.000 A 62 ILE HD1% H 1 -0.299 0.000 A 62 ILE HG12 H 1 0.296 0.000 A 62 ILE HG13 H 1 1.298 0.000 A 62 ILE HG2% H 1 0.372 0.000 A 62 ILE C C 13 172.776 0.000 A 62 ILE CA C 13 58.089 0.000 A 62 ILE CB C 13 43.821 0.000 A 62 ILE CD1 C 13 13.912 0.000 A 62 ILE CG1 C 13 26.568 0.000 A 62 ILE CG2 C 13 17.833 0.000 A 62 ILE N N 15 121.463 0.000 A 63 PRO HA H 1 3.610 0.000 A 63 PRO HB2 H 1 1.240 0.000 A 63 PRO HB3 H 1 1.323 0.000 A 63 PRO HDy H 1 4.642 0.000 A 63 PRO HDx H 1 3.405 0.000 A 63 PRO HGy H 1 1.390 0.000 A 63 PRO HGx H 1 1.200 0.000 A 63 PRO C C 13 179.007 0.000 A 63 PRO CA C 13 62.475 0.000 A 63 PRO CB C 13 30.637 0.000 A 63 PRO CD C 13 51.009 0.000 A 63 PRO CG C 13 27.397 0.000 A 64 GLN H H 1 8.045 0.000 A 64 GLN HA H 1 3.624 0.000 A 64 GLN HB2 H 1 1.730 0.000 A 64 GLN HB3 H 1 1.730 0.000 A 64 GLN HE2y H 1 7.464 0.000 A 64 GLN HE2x H 1 6.744 0.000 A 64 GLN HGy H 1 2.276 0.000 A 64 GLN HGx H 1 2.101 0.000 A 64 GLN C C 13 176.210 0.000 A 64 GLN CA C 13 58.984 0.000 A 64 GLN CB C 13 28.212 0.000 A 64 GLN CG C 13 32.693 0.000 A 64 GLN N N 15 124.254 0.000 A 64 GLN NE2 N 15 110.226 0.000 A 65 ASN H H 1 8.543 0.000 A 65 ASN HA H 1 4.722 0.000 A 65 ASN HB2 H 1 2.838 0.000 A 65 ASN HB3 H 1 2.838 0.000 A 65 ASN HD21 H 1 7.523 0.000 A 65 ASN HD22 H 1 6.824 0.000 A 65 ASN C C 13 175.720 0.000 A 65 ASN CA C 13 53.734 0.000 A 65 ASN CB C 13 36.735 0.000 A 65 ASN N N 15 111.289 0.000 A 65 ASN ND2 N 15 112.079 0.000 A 66 TYR H H 1 7.919 0.000 A 66 TYR HA H 1 4.906 0.000 A 66 TYR HBx H 1 3.353 0.000 A 66 TYR HBy H 1 3.854 0.000 A 66 TYR HD1 H 1 6.954 0.000 A 66 TYR HD2 H 1 6.954 0.000 A 66 TYR HE1 H 1 6.798 0.000 A 66 TYR HE2 H 1 6.798 0.000 A 66 TYR C C 13 175.641 0.000 A 66 TYR CA C 13 57.121 0.000 A 66 TYR CB C 13 37.682 0.000 A 66 TYR CD2 C 13 131.200 0.000 A 66 TYR CE2 C 13 118.259 0.000 A 66 TYR N N 15 118.333 0.000 A 67 VAL H H 1 7.341 0.000 A 67 VAL HA H 1 5.441 0.000 A 67 VAL HB H 1 1.786 0.000 A 67 VAL HG1% H 1 0.447 0.000 A 67 VAL HG2% H 1 0.489 0.000 A 67 VAL C C 13 173.714 0.000 A 67 VAL CA C 13 57.990 0.000 A 67 VAL CB C 13 35.467 0.000 A 67 VAL CG1 C 13 22.062 0.000 A 67 VAL CG2 C 13 17.941 0.000 A 67 VAL N N 15 108.796 0.000 A 68 LYS H H 1 8.907 0.000 A 68 LYS HA H 1 4.692 0.000 A 68 LYS HB2 H 1 1.609 0.000 A 68 LYS HB3 H 1 1.731 0.000 A 68 LYS HD2 H 1 1.659 0.000 A 68 LYS HD3 H 1 1.659 0.000 A 68 LYS HE2 H 1 2.975 0.000 A 68 LYS HE3 H 1 2.975 0.000 A 68 LYS HG2 H 1 1.366 0.000 A 68 LYS HG3 H 1 1.366 0.000 A 68 LYS C C 13 175.962 0.000 A 68 LYS CA C 13 54.108 0.000 A 68 LYS CB C 13 35.051 0.000 A 68 LYS CD C 13 29.186 0.000 A 68 LYS CE C 13 42.066 0.000 A 68 LYS CG C 13 24.617 0.000 A 68 LYS N N 15 120.974 0.000 A 69 LEU H H 1 8.791 0.000 A 69 LEU HA H 1 4.392 0.000 A 69 LEU HBx H 1 1.519 0.000 A 69 LEU HBy H 1 1.763 0.000 A 69 LEU HD1% H 1 0.877 0.000 A 69 LEU HD2% H 1 0.726 0.000 A 69 LEU HG H 1 1.718 0.000 A 69 LEU C C 13 176.293 0.000 A 69 LEU CA C 13 55.627 0.000 A 69 LEU CB C 13 41.278 0.000 A 69 LEU CD1 C 13 25.317 0.000 A 69 LEU CD2 C 13 23.001 0.000 A 69 LEU CG C 13 27.154 0.000 A 69 LEU N N 15 126.343 0.000 A 70 LEU H H 1 8.233 0.000 A 70 LEU HA H 1 4.280 0.000 A 70 LEU HBy H 1 1.568 0.000 A 70 LEU HBx H 1 1.483 0.000 A 70 LEU HD1% H 1 0.818 0.000 A 70 LEU HD2% H 1 0.794 0.000 A 70 LEU HG H 1 1.541 0.000 A 70 LEU C C 13 182.657 0.000 A 70 LEU CA C 13 56.030 0.000 A 70 LEU CB C 13 43.006 0.000 A 70 LEU CD1 C 13 25.505 0.000 A 70 LEU CD2 C 13 22.754 0.000 A 70 LEU CG C 13 27.320 0.000 A 70 LEU N N 15 129.058 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 11 MET HA A 12 ILE H 1.0 0.0 3.21 2 2 A 12 ILE H A 11 MET HBy 1.0 0.0 5.14 3 3 A 12 ILE H A 11 MET HBx 1.0 0.0 5.14 4 4 A 12 ILE H A 12 ILE HB 1.0 0.0 3.62 5 5 A 12 ILE H A 12 ILE HG1y 1.0 0.0 4.26 6 6 A 12 ILE H A 12 ILE HG1x 1.0 0.0 4.26 7 7 A 12 ILE H A 12 ILE HG2% 1.0 0.0 4.67 8 8 A 12 ILE H A 12 ILE HD1% 1.0 0.0 5.16 9 9 A 12 ILE HA A 13 ARG H 1.0 0.0 3.30 10 10 A 13 ARG H A 13 ARG HG2 1.0 0.0 4.32 11 10 A 13 ARG H A 13 ARG HG3 1.0 0.0 4.32 12 11 A 14 SER H A 15 ARG H 1.0 0.0 4.01 13 12 A 14 SER H A 13 ARG HA 1.0 0.0 3.19 14 13 A 14 SER H A 13 ARG HG2 1.0 0.0 4.51 15 13 A 13 ARG HG3 A 14 SER H 1.0 0.0 4.51 16 14 A 15 ARG H A 14 SER HA 1.0 0.0 3.12 17 15 A 15 ARG H A 15 ARG HD2 1.0 0.0 4.87 18 15 A 15 ARG H A 15 ARG HD3 1.0 0.0 4.87 19 16 A 15 ARG HA A 16 LYS H 1.0 0.0 3.00 20 17 A 16 LYS H A 15 ARG HD2 1.0 0.0 4.47 21 17 A 15 ARG HD3 A 16 LYS H 1.0 0.0 4.47 22 18 A 16 LYS H A 42 VAL HG2% 1.0 0.0 4.51 23 19 A 17 ALA H A 39 PHE H 1.0 0.0 3.55 24 20 A 17 ALA H A 39 PHE HD% 1.0 0.0 4.57 25 21 A 17 ALA H A 16 LYS HA 1.0 0.0 3.00 26 22 A 17 ALA H A 38 ILE HA 1.0 0.0 4.81 27 23 A 17 ALA H A 39 PHE HA 1.0 0.0 5.35 28 24 A 17 ALA H A 39 PHE HB2 1.0 0.0 4.00 29 25 A 17 ALA H A 16 LYS HG2 1.0 0.0 3.81 30 25 A 17 ALA H A 16 LYS HG3 1.0 0.0 3.81 31 26 A 17 ALA H A 17 ALA HB% 1.0 0.0 3.60 32 27 A 42 VAL HG2% A 17 ALA H 1.0 0.0 3.68 33 28 A 18 ARG H A 70 LEU H 1.0 0.0 4.40 34 29 A 18 ARG H A 67 VAL HA 1.0 0.0 4.62 35 30 A 18 ARG H A 17 ALA HA 1.0 0.0 3.01 36 31 A 18 ARG H A 69 LEU HA 1.0 0.0 4.40 37 32 A 17 ALA HB% A 18 ARG H 1.0 0.0 3.40 38 33 A 18 ARG H A 70 LEU HD1% 1.0 0.0 4.49 39 34 A 18 ARG H A 67 VAL HG1% 1.0 0.0 5.43 40 35 A 18 ARG H A 67 VAL HG2% 1.0 0.0 5.50 41 36 A 19 ALA H A 20 VAL H 1.0 0.0 4.85 42 37 A 19 ALA H A 36 GLY H 1.0 0.0 4.55 43 38 A 19 ALA H A 39 PHE HE% 1.0 0.0 3.91 44 39 A 19 ALA H A 18 ARG HA 1.0 0.0 2.84 45 40 A 19 ALA H A 19 ALA HB% 1.0 0.0 3.09 46 41 A 19 ALA H A 18 ARG HG2 1.0 0.0 3.60 47 41 A 19 ALA H A 18 ARG HG3 1.0 0.0 3.60 48 42 A 19 ALA H A 37 ALA HB% 1.0 0.0 4.08 49 43 A 19 ALA H A 38 ILE HD1% 1.0 0.0 4.33 50 44 A 67 VAL HG1% A 19 ALA H 1.0 0.0 4.57 51 45 A 67 VAL HA A 20 VAL H 1.0 0.0 3.37 52 46 A 20 VAL H A 19 ALA HA 1.0 0.0 3.03 53 47 A 20 VAL H A 20 VAL HB 1.0 0.0 4.09 54 48 A 20 VAL H A 19 ALA HB% 1.0 0.0 3.98 55 49 A 67 VAL HG1% A 20 VAL H 1.0 0.0 4.16 56 50 A 20 VAL H A 21 TYR H 1.0 0.0 2.90 57 51 A 67 VAL HA A 21 TYR H 1.0 0.0 4.78 58 52 A 19 ALA HA A 21 TYR H 1.0 0.0 3.82 59 53 A 20 VAL HB A 21 TYR H 1.0 0.0 4.36 60 54 A 19 ALA HB% A 21 TYR H 1.0 0.0 3.84 61 55 A 21 TYR H A 20 VAL HG2% 1.0 0.0 3.77 62 56 A 23 CYS H A 33 PHE H 1.0 0.0 3.59 63 57 A 23 CYS H A 33 PHE HD% 1.0 0.0 4.65 64 58 A 23 CYS H A 32 SER HA 1.0 0.0 5.50 65 59 A 23 CYS H A 33 PHE HA 1.0 0.0 5.50 66 60 A 23 CYS H A 22 PRO HA 1.0 0.0 3.01 67 61 A 23 CYS H A 22 PRO HB3 1.0 0.0 4.20 68 62 A 23 CYS H A 22 PRO HB2 1.0 0.0 3.62 69 63 A 23 CYS HA A 24 GLU H 1.0 0.0 2.89 70 64 A 24 GLU H A 24 GLU HG2 1.0 0.0 4.03 71 64 A 24 GLU H A 24 GLU HG3 1.0 0.0 4.03 72 65 A 24 GLU H A 24 GLU HBx 1.0 0.0 3.86 73 66 A 32 SER HA A 25 ALA H 1.0 0.0 3.85 74 67 A 25 ALA H A 24 GLU HA 1.0 0.0 2.84 75 68 A 25 ALA H A 32 SER HBx 1.0 0.0 4.59 76 69 A 25 ALA H A 24 GLU HG2 1.0 0.0 4.37 77 69 A 24 GLU HG3 A 25 ALA H 1.0 0.0 4.37 78 70 A 25 ALA H A 25 ALA HB% 1.0 0.0 3.02 79 71 A 33 PHE HA A 34 GLU H 1.0 0.0 3.03 80 72 A 25 ALA HA A 26 GLU H 1.0 0.0 2.90 81 73 A 34 GLU H A 33 PHE HB3 1.0 0.0 3.91 82 74 A 34 GLU H A 33 PHE HB2 1.0 0.0 3.34 83 75 A 26 GLU H A 26 GLU HGy 1.0 0.0 4.15 84 76 A 26 GLU H A 26 GLU HGx 1.0 0.0 4.15 85 77 A 26 GLU H A 26 GLU HB2 1.0 0.0 3.27 86 77 A 26 GLU H A 26 GLU HB3 1.0 0.0 3.27 87 78 A 25 ALA HB% A 26 GLU H 1.0 0.0 3.73 88 79 A 37 ALA HB% A 34 GLU H 1.0 0.0 3.65 89 80 A 26 GLU H A 27 HIS H 1.0 0.0 3.10 90 81 A 25 ALA HA A 27 HIS H 1.0 0.0 4.28 91 82 A 27 HIS H A 27 HIS HBy 1.0 0.0 4.10 92 83 A 27 HIS H A 27 HIS HBx 1.0 0.0 4.10 93 84 A 27 HIS H A 30 GLU HB3 1.0 0.0 4.41 94 85 A 27 HIS H A 30 GLU HB2 1.0 0.0 4.56 95 86 A 27 HIS H A 30 GLU HG2 1.0 0.0 5.50 96 86 A 27 HIS H A 30 GLU HG3 1.0 0.0 5.50 97 87 A 27 HIS H A 26 GLU HB2 1.0 0.0 3.84 98 87 A 26 GLU HB3 A 27 HIS H 1.0 0.0 3.84 99 88 A 25 ALA HB% A 27 HIS H 1.0 0.0 3.62 100 89 A 28 SER HA A 30 GLU H 1.0 0.0 4.65 101 90 A 30 GLU HB3 A 30 GLU H 1.0 0.0 3.80 102 91 A 30 GLU HB2 A 30 GLU H 1.0 0.0 3.33 103 92 A 30 GLU H A 30 GLU HG2 1.0 0.0 3.52 104 92 A 30 GLU HG3 A 30 GLU H 1.0 0.0 3.52 105 93 A 25 ALA HB% A 30 GLU H 1.0 0.0 4.10 106 94 A 31 LEU H A 61 LEU H 1.0 0.0 4.05 107 95 A 31 LEU H A 30 GLU HA 1.0 0.0 3.07 108 96 A 31 LEU H A 60 GLY HA3 1.0 0.0 4.85 109 97 A 30 GLU HB3 A 31 LEU H 1.0 0.0 4.09 110 98 A 30 GLU HB2 A 31 LEU H 1.0 0.0 4.59 111 99 A 31 LEU H A 30 GLU HG2 1.0 0.0 4.39 112 99 A 30 GLU HG3 A 31 LEU H 1.0 0.0 4.39 113 100 A 31 LEU H A 31 LEU HB2 1.0 0.0 3.48 114 101 A 31 LEU H A 31 LEU HB3 1.0 0.0 3.97 115 102 A 31 LEU H A 31 LEU HG 1.0 0.0 3.42 116 103 A 31 LEU H A 31 LEU HD1% 1.0 0.0 4.36 117 104 A 31 LEU H A 31 LEU HD2% 1.0 0.0 4.18 118 105 A 31 LEU H A 61 LEU HD1% 1.0 0.0 5.50 119 106 A 31 LEU H A 62 ILE HG12 1.0 0.0 5.50 120 107 A 31 LEU HA A 32 SER H 1.0 0.0 2.92 121 108 A 32 SER H A 32 SER HBx 1.0 0.0 4.07 122 109 A 31 LEU HB2 A 32 SER H 1.0 0.0 4.26 123 110 A 31 LEU HB3 A 32 SER H 1.0 0.0 3.71 124 111 A 31 LEU HG A 32 SER H 1.0 0.0 4.78 125 112 A 25 ALA HB% A 32 SER H 1.0 0.0 4.47 126 113 A 33 PHE H A 33 PHE HD% 1.0 0.0 4.55 127 114 A 33 PHE H A 32 SER HA 1.0 0.0 2.99 128 115 A 33 PHE H A 24 GLU HA 1.0 0.0 4.19 129 116 A 34 GLU H A 55 LEU HD2% 1.0 0.0 4.54 130 117 A 34 GLU HA A 35 ILE H 1.0 0.0 3.13 131 118 A 35 ILE H A 34 GLU HBy 1.0 0.0 3.65 132 119 A 35 ILE H A 34 GLU HBx 1.0 0.0 3.65 133 120 A 35 ILE H A 35 ILE HB 1.0 0.0 3.16 134 121 A 35 ILE H A 35 ILE HG13 1.0 0.0 3.27 135 122 A 35 ILE H A 35 ILE HD1% 1.0 0.0 4.19 136 123 A 35 ILE H A 35 ILE HG2% 1.0 0.0 4.05 137 124 A 35 ILE H A 35 ILE HG12 1.0 0.0 3.99 138 125 A 36 GLY H A 20 VAL HA 1.0 0.0 4.66 139 126 A 36 GLY H A 35 ILE HA 1.0 0.0 2.86 140 127 A 36 GLY H A 19 ALA HB% 1.0 0.0 3.48 141 128 A 36 GLY H A 18 ARG HG2 1.0 0.0 4.27 142 128 A 36 GLY H A 18 ARG HG3 1.0 0.0 4.27 143 129 A 36 GLY H A 35 ILE HG12 1.0 0.0 4.49 144 130 A 19 ALA H A 37 ALA H 1.0 0.0 4.12 145 131 A 36 GLY H A 37 ALA H 1.0 0.0 3.36 146 132 A 37 ALA H A 38 ILE H 1.0 0.0 4.17 147 133 A 35 ILE HA A 37 ALA H 1.0 0.0 4.02 148 134 A 19 ALA HB% A 37 ALA H 1.0 0.0 3.09 149 135 A 37 ALA HB% A 37 ALA H 1.0 0.0 2.90 150 136 A 35 ILE HG2% A 37 ALA H 1.0 0.0 5.16 151 137 A 38 ILE HD1% A 37 ALA H 1.0 0.0 5.39 152 138 A 38 ILE H A 37 ALA HA 1.0 0.0 2.79 153 139 A 38 ILE H A 38 ILE HB 1.0 0.0 3.16 154 140 A 38 ILE H A 38 ILE HG1y 1.0 0.0 4.08 155 141 A 38 ILE H A 38 ILE HG1x 1.0 0.0 4.08 156 142 A 37 ALA HB% A 38 ILE H 1.0 0.0 3.56 157 143 A 38 ILE H A 38 ILE HG2% 1.0 0.0 4.51 158 144 A 38 ILE H A 55 LEU HD1% 1.0 0.0 3.93 159 145 A 39 PHE H A 39 PHE HD% 1.0 0.0 3.43 160 146 A 39 PHE H A 18 ARG HA 1.0 0.0 4.27 161 147 A 39 PHE H A 16 LYS HA 1.0 0.0 4.78 162 148 A 39 PHE H A 38 ILE HA 1.0 0.0 2.96 163 149 A 39 PHE H A 39 PHE HB2 1.0 0.0 3.73 164 150 A 39 PHE H A 40 GLU H 1.0 0.0 5.04 165 151 A 40 GLU H A 41 ASP H 1.0 0.0 5.39 166 152 A 39 PHE HA A 40 GLU H 1.0 0.0 3.00 167 153 A 40 GLU H A 54 THR HB 1.0 0.0 4.21 168 154 A 40 GLU H A 39 PHE HB3 1.0 0.0 3.97 169 155 A 39 PHE HB2 A 40 GLU H 1.0 0.0 4.52 170 156 A 40 GLU H A 40 GLU HGy 1.0 0.0 4.34 171 157 A 40 GLU H A 40 GLU HB3 1.0 0.0 4.01 172 158 A 40 GLU H A 40 GLU HB2 1.0 0.0 3.52 173 159 A 15 ARG H A 41 ASP H 1.0 0.0 4.38 174 160 A 67 VAL HA A 68 LYS H 1.0 0.0 2.99 175 161 A 16 LYS HA A 41 ASP H 1.0 0.0 4.50 176 162 A 41 ASP H A 40 GLU HB3 1.0 0.0 3.53 177 163 A 68 LYS H A 67 VAL HB 1.0 0.0 3.17 178 164 A 68 LYS H A 68 LYS HB3 1.0 0.0 3.64 179 165 A 42 VAL H A 42 VAL HB 1.0 0.0 3.17 180 166 A 15 ARG H A 42 VAL H 1.0 0.0 4.15 181 167 A 16 LYS HA A 42 VAL H 1.0 0.0 4.55 182 168 A 42 VAL H A 41 ASP HA 1.0 0.0 3.30 183 169 A 43 GLN H A 53 GLY HA2 1.0 0.0 4.83 184 170 A 43 GLN H A 43 GLN HBy 1.0 0.0 4.09 185 171 A 43 GLN H A 43 GLN HBx 1.0 0.0 4.09 186 172 A 43 GLN H A 42 VAL HG1% 1.0 0.0 3.61 187 173 A 43 GLN HE22 A 43 GLN HG2 1.0 0.0 4.06 188 173 A 43 GLN HG3 A 43 GLN HE22 1.0 0.0 4.06 189 174 A 43 GLN HA A 44 THR H 1.0 0.0 3.10 190 175 A 44 THR H A 43 GLN HBy 1.0 0.0 3.83 191 176 A 44 THR H A 43 GLN HBx 1.0 0.0 3.83 192 177 A 44 THR H A 44 THR HG2% 1.0 0.0 3.78 193 178 A 44 THR H A 51 LEU HD2% 1.0 0.0 4.65 194 179 A 45 SER H A 52 GLU H 1.0 0.0 4.54 195 180 A 45 SER H A 51 LEU HA 1.0 0.0 3.35 196 181 A 45 SER H A 44 THR HA 1.0 0.0 2.85 197 182 A 45 SER H A 45 SER HBy 1.0 0.0 3.73 198 183 A 45 SER H A 45 SER HBx 1.0 0.0 3.73 199 184 A 44 THR HG2% A 45 SER H 1.0 0.0 3.62 200 185 A 51 LEU HD2% A 45 SER H 1.0 0.0 3.87 201 186 A 46 ARG H A 45 SER HBy 1.0 0.0 4.28 202 187 A 46 ARG H A 45 SER HBx 1.0 0.0 4.28 203 188 A 46 ARG H A 46 ARG HG2 1.0 0.0 3.52 204 188 A 46 ARG H A 46 ARG HG3 1.0 0.0 3.52 205 189 A 47 GLU H A 45 SER HBy 1.0 0.0 4.25 206 190 A 47 GLU H A 45 SER HBx 1.0 0.0 4.25 207 191 A 47 GLU H A 50 TRP HB2 1.0 0.0 4.48 208 191 A 47 GLU H A 50 TRP HB3 1.0 0.0 4.48 209 192 A 47 GLU H A 47 GLU HG2 1.0 0.0 3.61 210 192 A 47 GLU H A 47 GLU HG3 1.0 0.0 3.61 211 193 A 47 GLU H A 47 GLU HB3 1.0 0.0 3.57 212 194 A 47 GLU H A 47 GLU HB2 1.0 0.0 3.16 213 195 A 48 PRO HA A 49 GLY H 1.0 0.0 3.06 214 196 A 49 GLY H A 48 PRO HBy 1.0 0.0 4.63 215 197 A 49 GLY H A 48 PRO HBx 1.0 0.0 4.63 216 198 A 49 GLY H A 50 TRP H 1.0 0.0 3.60 217 199 A 48 PRO HA A 50 TRP H 1.0 0.0 4.39 218 200 A 50 TRP H A 50 TRP HB2 1.0 0.0 3.32 219 200 A 50 TRP HB3 A 50 TRP H 1.0 0.0 3.32 220 201 A 50 TRP H A 64 GLN HB2 1.0 0.0 4.89 221 201 A 50 TRP H A 64 GLN HB3 1.0 0.0 4.89 222 202 A 50 TRP HE1 A 47 GLU HG2 1.0 0.0 4.86 223 202 A 47 GLU HG3 A 50 TRP HE1 1.0 0.0 4.86 224 203 A 47 GLU HB3 A 50 TRP HE1 1.0 0.0 4.62 225 204 A 50 TRP H A 51 LEU H 1.0 0.0 4.99 226 205 A 51 LEU H A 50 TRP HE3 1.0 0.0 4.60 227 206 A 51 LEU H A 50 TRP HA 1.0 0.0 3.03 228 207 A 51 LEU H A 63 PRO HA 1.0 0.0 4.28 229 208 A 51 LEU H A 50 TRP HB2 1.0 0.0 3.75 230 208 A 50 TRP HB3 A 51 LEU H 1.0 0.0 3.75 231 209 A 51 LEU H A 51 LEU HB2 1.0 0.0 3.57 232 209 A 51 LEU H A 51 LEU HB3 1.0 0.0 3.57 233 210 A 51 LEU H A 51 LEU HG 1.0 0.0 3.74 234 211 A 51 LEU H A 61 LEU HD2% 1.0 0.0 5.17 235 212 A 52 GLU H A 51 LEU HA 1.0 0.0 3.17 236 213 A 52 GLU H A 52 GLU HG2 1.0 0.0 4.20 237 213 A 52 GLU H A 52 GLU HG3 1.0 0.0 4.20 238 214 A 52 GLU H A 52 GLU HB3 1.0 0.0 4.10 239 215 A 52 GLU H A 52 GLU HB2 1.0 0.0 3.76 240 216 A 52 GLU H A 51 LEU HB2 1.0 0.0 3.22 241 216 A 52 GLU H A 51 LEU HB3 1.0 0.0 3.22 242 217 A 51 LEU HD2% A 52 GLU H 1.0 0.0 4.10 243 218 A 42 VAL HG1% A 52 GLU H 1.0 0.0 4.33 244 219 A 53 GLY H A 60 GLY H 1.0 0.0 3.49 245 220 A 53 GLY H A 52 GLU HA 1.0 0.0 2.93 246 221 A 53 GLY H A 52 GLU HG2 1.0 0.0 4.30 247 221 A 52 GLU HG3 A 53 GLY H 1.0 0.0 4.30 248 222 A 52 GLU HB3 A 53 GLY H 1.0 0.0 4.15 249 223 A 52 GLU HB2 A 53 GLY H 1.0 0.0 4.60 250 224 A 31 LEU HD1% A 53 GLY H 1.0 0.0 4.50 251 225 A 53 GLY H A 62 ILE HD1% 1.0 0.0 3.82 252 226 A 54 THR H A 55 LEU H 1.0 0.0 4.34 253 227 A 53 GLY HA2 A 54 THR H 1.0 0.0 3.40 254 228 A 54 THR HB A 54 THR H 1.0 0.0 3.38 255 229 A 39 PHE HB3 A 54 THR H 1.0 0.0 4.45 256 230 A 55 LEU H A 54 THR HA 1.0 0.0 2.91 257 231 A 54 THR HB A 55 LEU H 1.0 0.0 4.65 258 232 A 55 LEU H A 55 LEU HB3 1.0 0.0 3.51 259 233 A 55 LEU H A 58 LYS HB2 1.0 0.0 4.72 260 234 A 55 LEU H A 55 LEU HB2 1.0 0.0 3.82 261 235 A 55 LEU H A 54 THR HG2% 1.0 0.0 3.27 262 236 A 55 LEU HG A 56 ASN HD2y 1.0 0.0 4.75 263 237 A 55 LEU HD1% A 56 ASN HD2y 1.0 0.0 4.46 264 238 A 56 ASN H A 57 GLY H 1.0 0.0 4.06 265 239 A 56 ASN H A 55 LEU HA 1.0 0.0 3.09 266 240 A 55 LEU HG A 56 ASN H 1.0 0.0 4.49 267 241 A 54 THR HG2% A 56 ASN H 1.0 0.0 4.58 268 242 A 55 LEU HD1% A 56 ASN H 1.0 0.0 3.80 269 243 A 55 LEU HG A 56 ASN HD2x 1.0 0.0 4.75 270 244 A 55 LEU HD1% A 56 ASN HD2x 1.0 0.0 4.46 271 245 A 57 GLY H A 56 ASN HA 1.0 0.0 3.41 272 246 A 54 THR HG2% A 57 GLY H 1.0 0.0 3.46 273 247 A 55 LEU H A 58 LYS H 1.0 0.0 3.69 274 248 A 57 GLY H A 58 LYS H 1.0 0.0 3.61 275 249 A 58 LYS H A 58 LYS HB3 1.0 0.0 3.36 276 250 A 58 LYS HB2 A 58 LYS H 1.0 0.0 3.28 277 251 A 54 THR HG2% A 58 LYS H 1.0 0.0 3.59 278 252 A 58 LYS HA A 59 ARG H 1.0 0.0 2.82 279 253 A 59 ARG H A 59 ARG HBy 1.0 0.0 3.94 280 254 A 59 ARG H A 58 LYS HGy 1.0 0.0 4.09 281 255 A 59 ARG H A 59 ARG HBx 1.0 0.0 3.94 282 256 A 59 ARG H A 58 LYS HGx 1.0 0.0 4.09 283 257 A 31 LEU HD1% A 59 ARG H 1.0 0.0 5.05 284 258 A 59 ARG HE A 59 ARG HG2 1.0 0.0 4.00 285 258 A 59 ARG HG3 A 59 ARG HE 1.0 0.0 4.00 286 259 A 60 GLY H A 59 ARG HA 1.0 0.0 2.98 287 260 A 60 GLY H A 52 GLU HA 1.0 0.0 4.61 288 261 A 60 GLY H A 59 ARG HG2 1.0 0.0 3.32 289 261 A 60 GLY H A 59 ARG HG3 1.0 0.0 3.32 290 262 A 31 LEU HD1% A 60 GLY H 1.0 0.0 3.50 291 263 A 31 LEU HD2% A 60 GLY H 1.0 0.0 3.91 292 264 A 61 LEU H A 60 GLY H 1.0 0.0 4.43 293 265 A 61 LEU H A 30 GLU HA 1.0 0.0 3.26 294 266 A 61 LEU H A 60 GLY HA2 1.0 0.0 3.42 295 267 A 61 LEU H A 60 GLY HA3 1.0 0.0 3.36 296 268 A 61 LEU H A 30 GLU HG2 1.0 0.0 5.24 297 268 A 30 GLU HG3 A 61 LEU H 1.0 0.0 5.24 298 269 A 61 LEU H A 52 GLU HG2 1.0 0.0 5.50 299 269 A 61 LEU H A 52 GLU HG3 1.0 0.0 5.50 300 270 A 61 LEU H A 61 LEU HG 1.0 0.0 3.33 301 271 A 61 LEU H A 61 LEU HB2 1.0 0.0 3.40 302 272 A 61 LEU H A 61 LEU HD2% 1.0 0.0 4.53 303 273 A 61 LEU H A 61 LEU HD1% 1.0 0.0 4.38 304 274 A 51 LEU H A 62 ILE H 1.0 0.0 3.71 305 275 A 50 TRP HE3 A 62 ILE H 1.0 0.0 4.05 306 276 A 62 ILE H A 61 LEU HA 1.0 0.0 2.97 307 277 A 52 GLU HA A 62 ILE H 1.0 0.0 4.11 308 278 A 62 ILE H A 61 LEU HB3 1.0 0.0 3.96 309 279 A 62 ILE H A 62 ILE HG13 1.0 0.0 3.88 310 280 A 62 ILE H A 62 ILE HB 1.0 0.0 3.63 311 281 A 62 ILE H A 62 ILE HG2% 1.0 0.0 4.64 312 282 A 62 ILE HD1% A 62 ILE H 1.0 0.0 4.64 313 283 A 51 LEU H A 64 GLN H 1.0 0.0 4.40 314 284 A 50 TRP HA A 64 GLN H 1.0 0.0 3.50 315 285 A 63 PRO HA A 64 GLN H 1.0 0.0 2.77 316 286 A 64 GLN H A 64 GLN HGy 1.0 0.0 4.70 317 287 A 64 GLN H A 64 GLN HB2 1.0 0.0 3.02 318 287 A 64 GLN HB3 A 64 GLN H 1.0 0.0 3.02 319 288 A 51 LEU HG A 64 GLN H 1.0 0.0 4.46 320 289 A 65 ASN HD22 A 65 ASN HB2 1.0 0.0 3.95 321 289 A 65 ASN HB3 A 65 ASN HD22 1.0 0.0 3.95 322 290 A 64 GLN H A 65 ASN H 1.0 0.0 3.70 323 291 A 65 ASN H A 66 TYR H 1.0 0.0 3.45 324 292 A 65 ASN H A 66 TYR HD% 1.0 0.0 4.68 325 293 A 63 PRO HA A 65 ASN H 1.0 0.0 4.30 326 294 A 65 ASN H A 65 ASN HB2 1.0 0.0 3.27 327 294 A 65 ASN HB3 A 65 ASN H 1.0 0.0 3.27 328 295 A 65 ASN H A 64 GLN HGy 1.0 0.0 4.67 329 296 A 65 ASN H A 64 GLN HGx 1.0 0.0 4.67 330 297 A 65 ASN H A 64 GLN HB2 1.0 0.0 3.58 331 297 A 64 GLN HB3 A 65 ASN H 1.0 0.0 3.58 332 298 A 65 ASN H A 63 PRO HB2 1.0 0.0 4.27 333 299 A 65 ASN HD21 A 65 ASN HB2 1.0 0.0 3.50 334 299 A 65 ASN HB3 A 65 ASN HD21 1.0 0.0 3.50 335 300 A 66 TYR H A 66 TYR HBy 1.0 0.0 3.84 336 301 A 66 TYR H A 64 GLN HA 1.0 0.0 4.65 337 302 A 66 TYR H A 66 TYR HBx 1.0 0.0 3.84 338 303 A 66 TYR H A 65 ASN HB2 1.0 0.0 4.62 339 303 A 65 ASN HB3 A 66 TYR H 1.0 0.0 4.62 340 304 A 66 TYR H A 63 PRO HB2 1.0 0.0 3.97 341 305 A 67 VAL HG1% A 66 TYR H 1.0 0.0 4.20 342 306 A 67 VAL HG2% A 66 TYR H 1.0 0.0 4.51 343 307 A 66 TYR H A 67 VAL H 1.0 0.0 3.13 344 308 A 67 VAL H A 66 TYR HBy 1.0 0.0 4.74 345 309 A 67 VAL H A 66 TYR HBx 1.0 0.0 4.74 346 310 A 67 VAL HG2% A 67 VAL H 1.0 0.0 3.06 347 311 A 20 VAL H A 68 LYS H 1.0 0.0 3.98 348 312 A 68 LYS H A 68 LYS HG2 1.0 0.0 4.30 349 312 A 68 LYS H A 68 LYS HG3 1.0 0.0 4.30 350 313 A 17 ALA HB% A 68 LYS H 1.0 0.0 4.22 351 314 A 20 VAL HG2% A 68 LYS H 1.0 0.0 4.06 352 315 A 67 VAL HG2% A 68 LYS H 1.0 0.0 3.73 353 316 A 68 LYS HA A 69 LEU H 1.0 0.0 2.73 354 317 A 69 LEU H A 69 LEU HBy 1.0 0.0 3.58 355 318 A 69 LEU H A 69 LEU HG 1.0 0.0 3.41 356 319 A 69 LEU H A 69 LEU HBx 1.0 0.0 3.58 357 320 A 17 ALA HB% A 69 LEU H 1.0 0.0 4.69 358 321 A 69 LEU H A 69 LEU HD1% 1.0 0.0 4.17 359 322 A 69 LEU H A 69 LEU HD2% 1.0 0.0 4.04 360 323 A 67 VAL HG2% A 69 LEU H 1.0 0.0 4.52 361 324 A 70 LEU H A 17 ALA HA 1.0 0.0 3.39 362 325 A 70 LEU H A 69 LEU HA 1.0 0.0 2.91 363 326 A 70 LEU H A 69 LEU HBy 1.0 0.0 4.59 364 327 A 70 LEU H A 70 LEU HG 1.0 0.0 3.09 365 328 A 17 ALA HB% A 70 LEU H 1.0 0.0 4.12 366 329 A 70 LEU H A 70 LEU HD1% 1.0 0.0 4.33 367 330 A 70 LEU H A 70 LEU HD2% 1.0 0.0 4.13 368 331 A 24 GLU H A 66 TYR HE% 1.0 0.0 5.09 369 332 A 24 GLU H A 24 GLU HBy 1.0 0.0 3.86 370 333 A 36 GLY H A 35 ILE HB 1.0 0.0 4.60 371 334 A 37 ALA H A 55 LEU HD1% 1.0 0.0 4.92 372 335 A 39 PHE H A 38 ILE H 1.0 0.0 4.80 373 336 A 39 PHE HD% A 40 GLU H 1.0 0.0 4.89 374 337 A 16 LYS HA A 40 GLU H 1.0 0.0 5.50 375 338 A 40 GLU H A 54 THR HA 1.0 0.0 5.50 376 339 A 51 LEU H A 51 LEU HD1% 1.0 0.0 4.91 377 340 A 52 GLU H A 53 GLY H 1.0 0.0 4.84 378 341 A 53 GLY H A 54 THR H 1.0 0.0 5.19 379 342 A 53 GLY H A 62 ILE H 1.0 0.0 4.80 380 343 A 53 GLY H A 54 THR HA 1.0 0.0 5.33 381 344 A 53 GLY H A 61 LEU HA 1.0 0.0 5.50 382 345 A 42 VAL HG2% A 53 GLY H 1.0 0.0 5.50 383 346 A 53 GLY H A 59 ARG HG2 1.0 0.0 4.75 384 346 A 53 GLY H A 59 ARG HG3 1.0 0.0 4.75 385 347 A 39 PHE HD% A 54 THR H 1.0 0.0 5.12 386 348 A 55 LEU H A 56 ASN H 1.0 0.0 4.51 387 349 A 58 LYS HB3 A 59 ARG H 1.0 0.0 4.13 388 350 A 62 ILE H A 50 TRP HB2 1.0 0.0 4.88 389 350 A 50 TRP HB3 A 62 ILE H 1.0 0.0 4.88 390 351 A 70 LEU H A 69 LEU H 1.0 0.0 4.79 391 352 A 54 THR HA A 58 LYS H 1.0 0.0 4.72 392 353 A 58 LYS H A 59 ARG H 1.0 0.0 4.77 393 354 A 61 LEU H A 62 ILE H 1.0 0.0 4.98 394 355 A 47 GLU H A 46 ARG HG2 1.0 0.0 4.06 395 355 A 46 ARG HG3 A 47 GLU H 1.0 0.0 4.06 396 356 A 46 ARG H A 46 ARG HD2 1.0 0.0 5.14 397 356 A 46 ARG H A 46 ARG HD3 1.0 0.0 5.14 398 357 A 46 ARG H A 50 TRP HB2 1.0 0.0 5.50 399 357 A 46 ARG H A 50 TRP HB3 1.0 0.0 5.50 400 358 A 21 TYR H A 21 TYR HD% 1.0 0.0 4.67 401 359 A 20 VAL H A 67 VAL HB 1.0 0.0 4.90 402 360 A 65 ASN H A 67 VAL H 1.0 0.0 4.87 403 361 A 65 ASN H A 65 ASN HD21 1.0 0.0 5.03 404 362 A 64 GLN HA A 67 VAL H 1.0 0.0 4.89 405 363 A 68 LYS H A 67 VAL H 1.0 0.0 4.77 406 364 A 19 ALA H A 18 ARG HD2 1.0 0.0 5.17 407 364 A 19 ALA H A 18 ARG HD3 1.0 0.0 5.17 408 365 A 30 GLU H A 29 SER H 1.0 0.0 4.22 409 366 A 44 THR H A 45 SER H 1.0 0.0 4.88 410 367 A 12 ILE HG2% A 13 ARG H 1.0 0.0 4.41 411 368 A 12 ILE HG2% A 12 ILE HG1y 1.0 0.0 3.90 412 369 A 12 ILE HG2% A 12 ILE HG1x 1.0 0.0 3.90 413 370 A 31 LEU HG A 60 GLY HA2 1.0 0.0 4.35 414 371 A 38 ILE HD1% A 18 ARG HG2 1.0 0.0 3.75 415 371 A 18 ARG HG3 A 38 ILE HD1% 1.0 0.0 3.75 416 372 A 12 ILE HB A 13 ARG H 1.0 0.0 4.59 417 373 A 11 MET HA A 12 ILE HA 1.0 0.0 4.81 418 374 A 12 ILE HA A 13 ARG HA 1.0 0.0 5.14 419 375 A 12 ILE HG2% A 12 ILE HA 1.0 0.0 3.55 420 376 A 12 ILE HD1% A 12 ILE HA 1.0 0.0 4.20 421 377 A 12 ILE HB A 12 ILE HD1% 1.0 0.0 3.80 422 378 A 13 ARG HA A 13 ARG HG2 1.0 0.0 3.81 423 378 A 13 ARG HG3 A 13 ARG HA 1.0 0.0 3.81 424 379 A 15 ARG H A 14 SER HBx 1.0 0.0 4.84 425 380 A 13 ARG HG3 A 14 SER HBx 1.0 0.0 4.56 426 380 A 13 ARG HG2 A 14 SER HBx 1.0 0.0 4.56 427 381 A 15 ARG H A 14 SER HBy 1.0 0.0 4.84 428 382 A 42 VAL HG2% A 15 ARG HBy 1.0 0.0 5.26 429 383 A 15 ARG HA A 15 ARG HD2 1.0 0.0 3.69 430 383 A 15 ARG HD3 A 15 ARG HA 1.0 0.0 3.69 431 384 A 69 LEU HD1% A 15 ARG HD2 1.0 0.0 4.44 432 384 A 15 ARG HD3 A 69 LEU HD1% 1.0 0.0 4.44 433 385 A 42 VAL HG2% A 15 ARG HD2 1.0 0.0 5.50 434 385 A 15 ARG HD3 A 42 VAL HG2% 1.0 0.0 5.50 435 386 A 69 LEU HD2% A 15 ARG HD2 1.0 0.0 5.50 436 386 A 15 ARG HD3 A 69 LEU HD2% 1.0 0.0 5.50 437 387 A 16 LYS HA A 16 LYS HG2 1.0 0.0 3.44 438 387 A 16 LYS HA A 16 LYS HG3 1.0 0.0 3.44 439 388 A 61 LEU HG A 61 LEU HA 1.0 0.0 3.87 440 389 A 42 VAL HG2% A 16 LYS HA 1.0 0.0 3.52 441 390 A 16 LYS H A 16 LYS HG2 1.0 0.0 4.48 442 390 A 16 LYS H A 16 LYS HG3 1.0 0.0 4.48 443 391 A 16 LYS HE3 A 16 LYS HG2 1.0 0.0 4.16 444 391 A 16 LYS HE2 A 16 LYS HG2 1.0 0.0 4.16 445 391 A 16 LYS HG3 A 16 LYS HE2 1.0 0.0 4.16 446 391 A 16 LYS HG3 A 16 LYS HE3 1.0 0.0 4.16 447 392 A 46 ARG HG3 A 46 ARG HBy 1.0 0.0 2.81 448 392 A 46 ARG HBy A 46 ARG HG2 1.0 0.0 2.81 449 393 A 68 LYS HE3 A 68 LYS HG2 1.0 0.0 3.79 450 393 A 68 LYS HE2 A 68 LYS HG2 1.0 0.0 3.79 451 393 A 68 LYS HG3 A 68 LYS HE2 1.0 0.0 3.79 452 393 A 68 LYS HG3 A 68 LYS HE3 1.0 0.0 3.79 453 394 A 70 LEU HD1% A 16 LYS HE2 1.0 0.0 4.96 454 394 A 70 LEU HD1% A 16 LYS HE3 1.0 0.0 4.96 455 395 A 16 LYS H A 16 LYS HD2 1.0 0.0 4.89 456 395 A 16 LYS H A 16 LYS HD3 1.0 0.0 4.89 457 396 A 16 LYS HA A 16 LYS HD2 1.0 0.0 4.49 458 396 A 16 LYS HA A 16 LYS HD3 1.0 0.0 4.49 459 397 A 68 LYS HD2 A 68 LYS HG2 1.0 0.0 2.83 460 397 A 68 LYS HG3 A 68 LYS HD2 1.0 0.0 2.83 461 397 A 68 LYS HG3 A 68 LYS HD3 1.0 0.0 2.83 462 397 A 68 LYS HD3 A 68 LYS HG2 1.0 0.0 2.83 463 398 A 38 ILE HG2% A 16 LYS HD2 1.0 0.0 4.72 464 398 A 38 ILE HG2% A 16 LYS HD3 1.0 0.0 4.72 465 399 A 70 LEU HD1% A 16 LYS HD2 1.0 0.0 5.21 466 399 A 70 LEU HD1% A 16 LYS HD3 1.0 0.0 5.21 467 400 A 70 LEU HD1% A 16 LYS HBx 1.0 0.0 4.32 468 401 A 39 PHE HD% A 17 ALA HB% 1.0 0.0 3.62 469 402 A 17 ALA HB% A 69 LEU HA 1.0 0.0 3.62 470 403 A 17 ALA HB% A 39 PHE HB3 1.0 0.0 4.35 471 404 A 39 PHE HB2 A 17 ALA HB% 1.0 0.0 3.85 472 405 A 17 ALA HB% A 67 VAL HB 1.0 0.0 3.20 473 406 A 17 ALA HB% A 42 VAL HB 1.0 0.0 3.87 474 407 A 17 ALA HB% A 67 VAL HG2% 1.0 0.0 3.17 475 408 A 17 ALA HA A 70 LEU HG 1.0 0.0 3.59 476 409 A 42 VAL HG2% A 17 ALA HA 1.0 0.0 4.66 477 410 A 38 ILE HA A 18 ARG HA 1.0 0.0 3.74 478 411 A 18 ARG HA A 18 ARG HG2 1.0 0.0 3.69 479 411 A 18 ARG HA A 18 ARG HG3 1.0 0.0 3.69 480 412 A 18 ARG HD3 A 18 ARG HBx 1.0 0.0 4.15 481 412 A 18 ARG HBx A 18 ARG HD2 1.0 0.0 4.15 482 413 A 18 ARG HD3 A 18 ARG HBy 1.0 0.0 4.15 483 413 A 18 ARG HBy A 18 ARG HD2 1.0 0.0 4.15 484 414 A 19 ALA HB% A 33 PHE HD% 1.0 0.0 3.72 485 415 A 39 PHE HE% A 19 ALA HB% 1.0 0.0 3.36 486 416 A 19 ALA HB% A 39 PHE HZ 1.0 0.0 3.94 487 417 A 19 ALA HB% A 35 ILE HA 1.0 0.0 3.53 488 418 A 67 VAL HG1% A 19 ALA HB% 1.0 0.0 3.95 489 419 A 20 VAL H A 20 VAL HG2% 1.0 0.0 3.24 490 420 A 67 VAL HA A 20 VAL HG2% 1.0 0.0 3.65 491 421 A 20 VAL HG2% A 66 TYR HA 1.0 0.0 3.86 492 422 A 20 VAL HG2% A 20 VAL HA 1.0 0.0 3.69 493 423 A 20 VAL HG2% A 68 LYS HB2 1.0 0.0 4.02 494 424 A 20 VAL HG2% A 68 LYS HD2 1.0 0.0 4.54 495 424 A 20 VAL HG2% A 68 LYS HD3 1.0 0.0 4.54 496 425 A 20 VAL H A 20 VAL HG1% 1.0 0.0 4.07 497 426 A 68 LYS H A 20 VAL HG1% 1.0 0.0 4.18 498 427 A 21 TYR H A 20 VAL HG1% 1.0 0.0 4.73 499 428 A 67 VAL HA A 20 VAL HG1% 1.0 0.0 4.45 500 429 A 20 VAL HA A 20 VAL HG1% 1.0 0.0 3.32 501 430 A 68 LYS HB2 A 20 VAL HG1% 1.0 0.0 3.69 502 431 A 22 PRO HD2 A 21 TYR HBx 1.0 0.0 4.14 503 432 A 22 PRO HD2 A 21 TYR HBy 1.0 0.0 4.14 504 433 A 22 PRO HB3 A 35 ILE H 1.0 0.0 4.41 505 434 A 35 ILE HG13 A 22 PRO HD2 1.0 0.0 4.58 506 435 A 35 ILE HD1% A 22 PRO HD2 1.0 0.0 4.32 507 436 A 35 ILE HG12 A 22 PRO HD2 1.0 0.0 4.57 508 437 A 47 GLU HB3 A 50 TRP HB2 1.0 0.0 4.52 509 437 A 50 TRP HB3 A 47 GLU HB3 1.0 0.0 4.52 510 438 A 24 GLU HG3 A 24 GLU HBx 1.0 0.0 2.91 511 438 A 24 GLU HBx A 24 GLU HG2 1.0 0.0 2.91 512 439 A 40 GLU H A 40 GLU HGx 1.0 0.0 4.34 513 440 A 24 GLU HA A 24 GLU HG2 1.0 0.0 3.91 514 440 A 24 GLU HG3 A 24 GLU HA 1.0 0.0 3.91 515 441 A 24 GLU HG3 A 24 GLU HBy 1.0 0.0 2.91 516 441 A 24 GLU HBy A 24 GLU HG2 1.0 0.0 2.91 517 442 A 25 ALA HB% A 31 LEU H 1.0 0.0 4.59 518 443 A 24 GLU HA A 25 ALA HB% 1.0 0.0 4.36 519 444 A 25 ALA HB% A 30 GLU HB3 1.0 0.0 3.57 520 445 A 25 ALA HB% A 30 GLU HB2 1.0 0.0 3.32 521 446 A 25 ALA HA A 30 GLU HB2 1.0 0.0 5.50 522 447 A 26 GLU HA A 26 GLU HGy 1.0 0.0 4.20 523 448 A 26 GLU HA A 26 GLU HGx 1.0 0.0 4.20 524 449 A 70 LEU HG A 70 LEU HA 1.0 0.0 3.78 525 450 A 61 LEU HD1% A 29 SER HBx 1.0 0.0 4.42 526 451 A 14 SER HBy A 13 ARG HG2 1.0 0.0 4.56 527 451 A 13 ARG HG3 A 14 SER HBy 1.0 0.0 4.56 528 452 A 61 LEU HD1% A 29 SER HBy 1.0 0.0 4.42 529 453 A 26 GLU H A 30 GLU HB2 1.0 0.0 4.50 530 454 A 31 LEU HD2% A 55 LEU H 1.0 0.0 4.44 531 455 A 31 LEU HD2% A 59 ARG H 1.0 0.0 4.50 532 456 A 31 LEU HD2% A 32 SER H 1.0 0.0 3.78 533 457 A 31 LEU HD2% A 59 ARG HA 1.0 0.0 4.48 534 458 A 31 LEU HD2% A 31 LEU HA 1.0 0.0 3.04 535 459 A 31 LEU HD2% A 60 GLY HA2 1.0 0.0 4.31 536 460 A 60 GLY HA3 A 31 LEU HD2% 1.0 0.0 3.79 537 461 A 31 LEU HD2% A 58 LYS HB3 1.0 0.0 3.57 538 462 A 31 LEU HB3 A 31 LEU HD2% 1.0 0.0 3.41 539 463 A 31 LEU HD1% A 55 LEU H 1.0 0.0 4.48 540 464 A 31 LEU HD1% A 62 ILE H 1.0 0.0 4.91 541 465 A 31 LEU HD1% A 32 SER H 1.0 0.0 5.34 542 466 A 39 PHE HE% A 31 LEU HD1% 1.0 0.0 3.39 543 467 A 33 PHE HB3 A 55 LEU HD2% 1.0 0.0 3.73 544 468 A 31 LEU HB2 A 31 LEU HD1% 1.0 0.0 3.48 545 469 A 31 LEU HB3 A 31 LEU HD1% 1.0 0.0 3.42 546 470 A 31 LEU HD1% A 62 ILE HG12 1.0 0.0 3.94 547 471 A 33 PHE HD% A 31 LEU HB2 1.0 0.0 4.79 548 472 A 25 ALA H A 32 SER HBy 1.0 0.0 4.59 549 473 A 32 SER H A 32 SER HBy 1.0 0.0 4.07 550 474 A 33 PHE HB3 A 39 PHE HZ 1.0 0.0 4.56 551 475 A 33 PHE HB2 A 55 LEU HD2% 1.0 0.0 3.92 552 476 A 34 GLU H A 34 GLU HGy 1.0 0.0 4.38 553 477 A 34 GLU H A 34 GLU HGx 1.0 0.0 4.38 554 478 A 39 PHE H A 38 ILE HG2% 1.0 0.0 3.56 555 479 A 36 GLY H A 35 ILE HG2% 1.0 0.0 3.47 556 480 A 17 ALA H A 38 ILE HG2% 1.0 0.0 4.23 557 481 A 38 ILE HA A 38 ILE HG2% 1.0 0.0 3.38 558 482 A 35 ILE HG2% A 36 GLY HA3 1.0 0.0 4.38 559 483 A 35 ILE HG2% A 20 VAL HA 1.0 0.0 3.65 560 484 A 35 ILE HG2% A 36 GLY HA2 1.0 0.0 4.09 561 485 A 35 ILE HG2% A 35 ILE HA 1.0 0.0 3.37 562 486 A 38 ILE HG2% A 16 LYS HE2 1.0 0.0 4.06 563 486 A 38 ILE HG2% A 16 LYS HE3 1.0 0.0 4.06 564 487 A 35 ILE HG12 A 20 VAL HA 1.0 0.0 4.78 565 488 A 35 ILE HG12 A 22 PRO HD3 1.0 0.0 4.47 566 489 A 35 ILE HG2% A 35 ILE HG12 1.0 0.0 3.95 567 490 A 22 PRO HA A 35 ILE HG13 1.0 0.0 4.86 568 491 A 34 GLU HA A 35 ILE HG13 1.0 0.0 5.50 569 492 A 35 ILE HG13 A 22 PRO HD3 1.0 0.0 4.19 570 493 A 35 ILE HA A 36 GLY HA2 1.0 0.0 4.38 571 494 A 35 ILE HG12 A 35 ILE HA 1.0 0.0 3.91 572 495 A 35 ILE HD1% A 22 PRO HD3 1.0 0.0 3.53 573 496 A 35 ILE HD1% A 35 ILE HA 1.0 0.0 4.41 574 497 A 36 GLY HA2 A 18 ARG HD2 1.0 0.0 4.89 575 497 A 18 ARG HD3 A 36 GLY HA2 1.0 0.0 4.89 576 498 A 36 GLY HA2 A 18 ARG HG2 1.0 0.0 4.20 577 498 A 18 ARG HG3 A 36 GLY HA2 1.0 0.0 4.20 578 499 A 38 ILE HD1% A 36 GLY HA2 1.0 0.0 5.50 579 500 A 36 GLY H A 37 ALA HB% 1.0 0.0 4.33 580 501 A 37 ALA HB% A 33 PHE HD% 1.0 0.0 4.62 581 502 A 37 ALA HB% A 39 PHE HZ 1.0 0.0 4.17 582 503 A 37 ALA HB% A 33 PHE HA 1.0 0.0 4.82 583 504 A 38 ILE HA A 37 ALA HB% 1.0 0.0 5.21 584 505 A 37 ALA HB% A 33 PHE HB3 1.0 0.0 3.83 585 506 A 37 ALA HB% A 33 PHE HB2 1.0 0.0 3.33 586 507 A 19 ALA HB% A 37 ALA HB% 1.0 0.0 3.28 587 508 A 37 ALA HB% A 55 LEU HD1% 1.0 0.0 3.14 588 509 A 37 ALA HA A 38 ILE HB 1.0 0.0 4.89 589 510 A 37 ALA HA A 55 LEU HD1% 1.0 0.0 4.45 590 511 A 17 ALA HB% A 38 ILE HG2% 1.0 0.0 4.91 591 512 A 62 ILE HG13 A 62 ILE HA 1.0 0.0 4.15 592 513 A 59 ARG HA A 59 ARG HG2 1.0 0.0 3.78 593 513 A 59 ARG HG3 A 59 ARG HA 1.0 0.0 3.78 594 514 A 39 PHE H A 38 ILE HD1% 1.0 0.0 4.31 595 515 A 38 ILE HD1% A 38 ILE H 1.0 0.0 4.58 596 516 A 18 ARG HA A 38 ILE HD1% 1.0 0.0 3.68 597 517 A 38 ILE HA A 38 ILE HD1% 1.0 0.0 3.42 598 518 A 38 ILE HD1% A 18 ARG HD2 1.0 0.0 3.82 599 518 A 38 ILE HD1% A 18 ARG HD3 1.0 0.0 3.82 600 519 A 38 ILE HD1% A 38 ILE HB 1.0 0.0 3.70 601 520 A 64 GLN H A 64 GLN HGx 1.0 0.0 4.70 602 521 A 51 LEU HD1% A 64 GLN HGx 1.0 0.0 4.56 603 522 A 41 ASP H A 40 GLU HB2 1.0 0.0 4.81 604 523 A 42 VAL HG2% A 40 GLU H 1.0 0.0 4.00 605 524 A 42 VAL HG2% A 54 THR H 1.0 0.0 4.49 606 525 A 42 VAL HG2% A 42 VAL H 1.0 0.0 3.25 607 526 A 61 LEU HD2% A 61 LEU HA 1.0 0.0 3.12 608 527 A 42 VAL HG2% A 53 GLY HA2 1.0 0.0 4.20 609 528 A 69 LEU HA A 69 LEU HD2% 1.0 0.0 3.22 610 529 A 42 VAL HG2% A 53 GLY HA3 1.0 0.0 3.86 611 530 A 42 VAL HG2% A 39 PHE HB3 1.0 0.0 3.62 612 531 A 42 VAL HG2% A 39 PHE HB2 1.0 0.0 3.48 613 532 A 61 LEU HD2% A 61 LEU HB3 1.0 0.0 3.63 614 533 A 42 VAL HG2% A 17 ALA HB% 1.0 0.0 3.24 615 534 A 17 ALA HB% A 69 LEU HD2% 1.0 0.0 3.52 616 535 A 67 VAL HG2% A 69 LEU HD2% 1.0 0.0 2.98 617 536 A 42 VAL HG2% A 62 ILE HD1% 1.0 0.0 3.92 618 537 A 42 VAL HB A 43 GLN H 1.0 0.0 4.66 619 538 A 42 VAL H A 42 VAL HG1% 1.0 0.0 4.39 620 539 A 42 VAL HG1% A 42 VAL HA 1.0 0.0 3.55 621 540 A 55 LEU HD1% A 55 LEU HA 1.0 0.0 3.86 622 541 A 55 LEU HD1% A 55 LEU HB2 1.0 0.0 3.20 623 542 A 43 GLN H A 43 GLN HG2 1.0 0.0 4.32 624 542 A 43 GLN H A 43 GLN HG3 1.0 0.0 4.32 625 543 A 43 GLN HA A 43 GLN HG2 1.0 0.0 3.93 626 543 A 43 GLN HG3 A 43 GLN HA 1.0 0.0 3.93 627 544 A 44 THR HG2% A 44 THR HA 1.0 0.0 3.27 628 545 A 44 THR H A 44 THR HB 1.0 0.0 3.64 629 546 A 45 SER H A 44 THR HB 1.0 0.0 3.82 630 547 A 51 LEU HD2% A 44 THR HB 1.0 0.0 4.24 631 548 A 52 GLU H A 44 THR HA 1.0 0.0 4.48 632 549 A 51 LEU HA A 44 THR HA 1.0 0.0 3.64 633 550 A 50 TRP HB3 A 45 SER HBy 1.0 0.0 4.46 634 550 A 45 SER HBy A 50 TRP HB2 1.0 0.0 4.46 635 551 A 52 GLU HG3 A 45 SER HBy 1.0 0.0 4.48 636 551 A 45 SER HBy A 52 GLU HG2 1.0 0.0 4.48 637 552 A 50 TRP HB3 A 45 SER HBx 1.0 0.0 4.46 638 552 A 45 SER HBx A 50 TRP HB2 1.0 0.0 4.46 639 553 A 52 GLU HG3 A 45 SER HBx 1.0 0.0 4.48 640 553 A 45 SER HBx A 52 GLU HG2 1.0 0.0 4.48 641 554 A 61 LEU HD2% A 45 SER HBx 1.0 0.0 4.07 642 555 A 46 ARG HA A 46 ARG HG2 1.0 0.0 3.74 643 555 A 46 ARG HG3 A 46 ARG HA 1.0 0.0 3.74 644 556 A 47 GLU HB2 A 50 TRP HB2 1.0 0.0 4.24 645 556 A 50 TRP HB3 A 47 GLU HB2 1.0 0.0 4.24 646 557 A 46 ARG HG3 A 46 ARG HBx 1.0 0.0 2.81 647 557 A 46 ARG HBx A 46 ARG HG2 1.0 0.0 2.81 648 558 A 48 PRO HDy A 47 GLU HG2 1.0 0.0 4.30 649 558 A 47 GLU HG3 A 48 PRO HDy 1.0 0.0 4.30 650 559 A 47 GLU HG3 A 48 PRO HDx 1.0 0.0 4.30 651 559 A 47 GLU HG2 A 48 PRO HDx 1.0 0.0 4.30 652 560 A 50 TRP HA A 63 PRO HA 1.0 0.0 3.72 653 561 A 61 LEU HB3 A 50 TRP HB2 1.0 0.0 4.54 654 561 A 50 TRP HB3 A 61 LEU HB3 1.0 0.0 4.54 655 562 A 51 LEU HD2% A 51 LEU H 1.0 0.0 4.60 656 563 A 51 LEU HD2% A 51 LEU HA 1.0 0.0 3.25 657 564 A 51 LEU HD2% A 44 THR HA 1.0 0.0 3.10 658 565 A 51 LEU HD2% A 64 GLN HA 1.0 0.0 4.24 659 566 A 44 THR HG2% A 51 LEU HD2% 1.0 0.0 2.99 660 567 A 51 LEU HD2% A 51 LEU HB2 1.0 0.0 3.43 661 567 A 51 LEU HD2% A 51 LEU HB3 1.0 0.0 3.43 662 568 A 62 ILE HD1% A 51 LEU HB2 1.0 0.0 4.59 663 568 A 51 LEU HB3 A 62 ILE HD1% 1.0 0.0 4.59 664 569 A 64 GLN HA A 51 LEU HD1% 1.0 0.0 3.54 665 570 A 51 LEU HD1% A 64 GLN HB2 1.0 0.0 4.12 666 570 A 64 GLN HB3 A 51 LEU HD1% 1.0 0.0 4.12 667 571 A 51 LEU HD1% A 51 LEU HB2 1.0 0.0 3.23 668 571 A 51 LEU HB3 A 51 LEU HD1% 1.0 0.0 3.23 669 572 A 45 SER HA A 52 GLU HG2 1.0 0.0 4.66 670 572 A 52 GLU HG3 A 45 SER HA 1.0 0.0 4.66 671 573 A 52 GLU HA A 52 GLU HG2 1.0 0.0 3.79 672 573 A 52 GLU HG3 A 52 GLU HA 1.0 0.0 3.79 673 574 A 61 LEU HD2% A 52 GLU HA 1.0 0.0 4.42 674 575 A 52 GLU HA A 53 GLY HA3 1.0 0.0 4.92 675 576 A 54 THR H A 54 THR HG2% 1.0 0.0 4.32 676 577 A 54 THR HG2% A 59 ARG H 1.0 0.0 4.65 677 578 A 54 THR HA A 54 THR HG2% 1.0 0.0 3.42 678 579 A 54 THR HG2% A 57 GLY HAx 1.0 0.0 4.21 679 580 A 54 THR HB A 40 GLU HB3 1.0 0.0 4.49 680 581 A 54 THR HB A 40 GLU HB2 1.0 0.0 3.67 681 582 A 60 GLY H A 54 THR HA 1.0 0.0 4.45 682 583 A 54 THR HA A 59 ARG HG2 1.0 0.0 5.21 683 583 A 54 THR HA A 59 ARG HG3 1.0 0.0 5.21 684 584 A 55 LEU HD2% A 55 LEU HB2 1.0 0.0 3.58 685 585 A 39 PHE HD% A 55 LEU HD1% 1.0 0.0 4.42 686 586 A 39 PHE HE% A 55 LEU HD1% 1.0 0.0 4.73 687 587 A 55 LEU HD1% A 55 LEU HB3 1.0 0.0 3.95 688 588 A 39 PHE HE% A 55 LEU HB3 1.0 0.0 5.15 689 589 A 55 LEU HD2% A 55 LEU HB3 1.0 0.0 3.45 690 590 A 54 THR HG2% A 57 GLY HAy 1.0 0.0 4.21 691 591 A 58 LYS HE3 A 58 LYS HGy 1.0 0.0 4.02 692 591 A 58 LYS HE2 A 58 LYS HGy 1.0 0.0 4.02 693 592 A 58 LYS HE3 A 58 LYS HGx 1.0 0.0 4.02 694 592 A 58 LYS HGx A 58 LYS HE2 1.0 0.0 4.02 695 593 A 31 LEU HD2% A 58 LYS HE2 1.0 0.0 4.06 696 593 A 31 LEU HD2% A 58 LYS HE3 1.0 0.0 4.06 697 594 A 58 LYS HA A 58 LYS HD2 1.0 0.0 4.91 698 594 A 58 LYS HA A 58 LYS HD3 1.0 0.0 4.91 699 595 A 31 LEU HD2% A 58 LYS HD2 1.0 0.0 4.32 700 595 A 31 LEU HD2% A 58 LYS HD3 1.0 0.0 4.32 701 596 A 31 LEU HD2% A 58 LYS HB2 1.0 0.0 4.49 702 597 A 69 LEU H A 68 LYS HG2 1.0 0.0 5.11 703 597 A 68 LYS HG3 A 69 LEU H 1.0 0.0 5.11 704 598 A 55 LEU H A 59 ARG HA 1.0 0.0 4.32 705 599 A 31 LEU HD1% A 59 ARG HA 1.0 0.0 4.19 706 600 A 54 THR HG2% A 59 ARG HA 1.0 0.0 4.70 707 601 A 59 ARG HBy A 59 ARG HDy 1.0 0.0 4.20 708 602 A 59 ARG HBx A 59 ARG HDy 1.0 0.0 4.20 709 603 A 59 ARG HBx A 59 ARG HDx 1.0 0.0 4.20 710 604 A 59 ARG HDx A 59 ARG HBy 1.0 0.0 4.20 711 605 A 60 GLY HA3 A 31 LEU HG 1.0 0.0 4.03 712 606 A 61 LEU HD2% A 62 ILE H 1.0 0.0 4.07 713 607 A 47 GLU H A 61 LEU HD2% 1.0 0.0 4.14 714 608 A 70 LEU H A 69 LEU HD2% 1.0 0.0 4.56 715 609 A 61 LEU HD2% A 45 SER HBy 1.0 0.0 4.07 716 610 A 61 LEU HD2% A 50 TRP HB2 1.0 0.0 3.59 717 610 A 50 TRP HB3 A 61 LEU HD2% 1.0 0.0 3.59 718 611 A 61 LEU HD2% A 52 GLU HG2 1.0 0.0 3.30 719 611 A 61 LEU HD2% A 52 GLU HG3 1.0 0.0 3.30 720 612 A 50 TRP HE3 A 61 LEU HG 1.0 0.0 4.74 721 613 A 50 TRP HE3 A 61 LEU HB2 1.0 0.0 4.74 722 614 A 61 LEU HB2 A 30 GLU HG2 1.0 0.0 4.37 723 614 A 30 GLU HG3 A 61 LEU HB2 1.0 0.0 4.37 724 615 A 61 LEU HA A 52 GLU HG2 1.0 0.0 4.32 725 615 A 52 GLU HG3 A 61 LEU HA 1.0 0.0 4.32 726 616 A 61 LEU HD1% A 30 GLU HG2 1.0 0.0 3.85 727 616 A 30 GLU HG3 A 61 LEU HD1% 1.0 0.0 3.85 728 617 A 61 LEU HD1% A 61 LEU HB2 1.0 0.0 3.57 729 618 A 30 GLU HA A 61 LEU HB3 1.0 0.0 4.41 730 619 A 61 LEU HB3 A 30 GLU HG2 1.0 0.0 4.49 731 619 A 30 GLU HG3 A 61 LEU HB3 1.0 0.0 4.49 732 620 A 61 LEU HD1% A 61 LEU HB3 1.0 0.0 4.01 733 621 A 39 PHE HE% A 62 ILE HG2% 1.0 0.0 4.30 734 622 A 62 ILE HG2% A 62 ILE HA 1.0 0.0 3.72 735 623 A 62 ILE HG2% A 63 PRO HDy 1.0 0.0 4.14 736 624 A 62 ILE HG2% A 63 PRO HDx 1.0 0.0 4.14 737 625 A 62 ILE HG13 A 62 ILE HG2% 1.0 0.0 3.95 738 626 A 62 ILE HD1% A 62 ILE HG2% 1.0 0.0 3.46 739 627 A 62 ILE HG12 A 62 ILE H 1.0 0.0 4.86 740 628 A 31 LEU HB2 A 62 ILE HG12 1.0 0.0 4.91 741 629 A 62 ILE HB A 51 LEU HB2 1.0 0.0 3.69 742 629 A 51 LEU HB3 A 62 ILE HB 1.0 0.0 3.69 743 630 A 62 ILE HD1% A 55 LEU H 1.0 0.0 5.14 744 631 A 39 PHE HD% A 62 ILE HD1% 1.0 0.0 3.89 745 632 A 39 PHE HE% A 62 ILE HD1% 1.0 0.0 4.32 746 633 A 62 ILE HD1% A 62 ILE HA 1.0 0.0 4.60 747 634 A 53 GLY HA2 A 62 ILE HD1% 1.0 0.0 4.31 748 635 A 62 ILE HD1% A 53 GLY HA3 1.0 0.0 3.60 749 636 A 39 PHE HB3 A 62 ILE HD1% 1.0 0.0 4.38 750 637 A 62 ILE HD1% A 62 ILE HB 1.0 0.0 3.33 751 638 A 31 LEU HD1% A 62 ILE HD1% 1.0 0.0 3.73 752 639 A 42 VAL HG1% A 62 ILE HD1% 1.0 0.0 3.94 753 640 A 63 PRO HB2 A 66 TYR HBx 1.0 0.0 5.25 754 641 A 33 PHE HZ A 63 PRO HDx 1.0 0.0 4.62 755 642 A 50 TRP HZ3 A 63 PRO HDx 1.0 0.0 5.14 756 643 A 65 ASN H A 63 PRO HB3 1.0 0.0 4.96 757 644 A 51 LEU HG A 64 GLN HA 1.0 0.0 3.49 758 645 A 67 VAL HG2% A 64 GLN HA 1.0 0.0 3.38 759 646 A 51 LEU HG A 64 GLN HB2 1.0 0.0 4.04 760 646 A 64 GLN HB3 A 51 LEU HG 1.0 0.0 4.04 761 647 A 51 LEU HD1% A 64 GLN HGy 1.0 0.0 4.56 762 648 A 67 VAL HA A 67 VAL HG2% 1.0 0.0 4.17 763 649 A 67 VAL HA A 19 ALA HA 1.0 0.0 3.47 764 650 A 67 VAL HG1% A 68 LYS H 1.0 0.0 4.32 765 651 A 67 VAL HG1% A 67 VAL H 1.0 0.0 4.02 766 652 A 67 VAL HG1% A 39 PHE HE% 1.0 0.0 3.47 767 653 A 67 VAL HA A 67 VAL HG1% 1.0 0.0 3.42 768 654 A 67 VAL HG1% A 39 PHE HZ 1.0 0.0 4.47 769 655 A 67 VAL HG1% A 19 ALA HA 1.0 0.0 3.35 770 656 A 67 VAL HG1% A 66 TYR HBy 1.0 0.0 4.51 771 657 A 67 VAL HG1% A 66 TYR HBx 1.0 0.0 4.51 772 658 A 17 ALA HB% A 67 VAL HG1% 1.0 0.0 3.62 773 659 A 68 LYS HB3 A 20 VAL HG1% 1.0 0.0 4.24 774 660 A 20 VAL HG2% A 68 LYS HB3 1.0 0.0 4.53 775 661 A 68 LYS H A 68 LYS HB2 1.0 0.0 4.02 776 662 A 70 LEU H A 69 LEU HBx 1.0 0.0 4.59 777 663 A 17 ALA HA A 69 LEU HA 1.0 0.0 3.51 778 664 A 69 LEU HD1% A 69 LEU HBy 1.0 0.0 3.68 779 665 A 69 LEU HD1% A 69 LEU HBx 1.0 0.0 3.68 780 666 A 18 ARG H A 70 LEU HD2% 1.0 0.0 4.31 781 667 A 17 ALA HA A 70 LEU HD2% 1.0 0.0 4.42 782 668 A 70 LEU HD2% A 70 LEU HA 1.0 0.0 2.99 783 669 A 70 LEU HD2% A 18 ARG HD2 1.0 0.0 4.18 784 669 A 70 LEU HD2% A 18 ARG HD3 1.0 0.0 4.18 785 670 A 70 LEU H A 70 LEU HBy 1.0 0.0 4.13 786 671 A 70 LEU HD1% A 18 ARG HA 1.0 0.0 4.83 787 672 A 17 ALA HA A 70 LEU HD1% 1.0 0.0 4.42 788 673 A 70 LEU HD1% A 70 LEU HA 1.0 0.0 4.61 789 674 A 70 LEU HD1% A 18 ARG HD2 1.0 0.0 4.53 790 674 A 70 LEU HD1% A 18 ARG HD3 1.0 0.0 4.53 791 675 A 70 LEU HD1% A 16 LYS HBy 1.0 0.0 4.32 792 676 A 70 LEU HD1% A 70 LEU HBy 1.0 0.0 3.83 793 677 A 70 LEU H A 70 LEU HBx 1.0 0.0 4.13 794 678 A 70 LEU HD1% A 70 LEU HBx 1.0 0.0 3.83 795 679 A 42 VAL HG2% A 15 ARG HBx 1.0 0.0 5.26 796 680 A 39 PHE HD% A 18 ARG HA 1.0 0.0 4.80 797 681 A 39 PHE HE% A 18 ARG HA 1.0 0.0 5.40 798 682 A 67 VAL HA A 19 ALA HB% 1.0 0.0 4.74 799 683 A 19 ALA HB% A 36 GLY HA2 1.0 0.0 5.04 800 684 A 18 ARG HA A 19 ALA HB% 1.0 0.0 4.69 801 685 A 20 VAL HG2% A 68 LYS HG2 1.0 0.0 4.23 802 685 A 20 VAL HG2% A 68 LYS HG3 1.0 0.0 4.23 803 686 A 25 ALA HA A 30 GLU HB3 1.0 0.0 4.72 804 687 A 25 ALA HB% A 30 GLU HG2 1.0 0.0 4.10 805 687 A 25 ALA HB% A 30 GLU HG3 1.0 0.0 4.10 806 688 A 61 LEU H A 31 LEU HD2% 1.0 0.0 4.76 807 689 A 35 ILE HB A 35 ILE HD1% 1.0 0.0 3.35 808 690 A 35 ILE HA A 36 GLY HA3 1.0 0.0 4.46 809 691 A 39 PHE HB2 A 62 ILE HD1% 1.0 0.0 4.66 810 692 A 62 ILE HD1% A 54 THR H 1.0 0.0 5.14 811 693 A 52 GLU HA A 62 ILE HD1% 1.0 0.0 4.69 812 694 A 63 PRO HB2 A 66 TYR HBy 1.0 0.0 5.25 813 695 A 67 VAL HG1% A 62 ILE HD1% 1.0 0.0 4.08 814 696 A 67 VAL HG2% A 62 ILE HD1% 1.0 0.0 4.57 815 697 A 62 ILE HD1% A 51 LEU HD1% 1.0 0.0 4.68 816 698 A 61 LEU HA A 62 ILE HB 1.0 0.0 4.92 817 699 A 69 LEU HA A 69 LEU HD1% 1.0 0.0 4.90 818 700 A 39 PHE H A 17 ALA HB% 1.0 0.0 4.33 819 701 A 33 PHE HD% A 31 LEU HB3 1.0 0.0 5.11 820 702 A 33 PHE HB2 A 39 PHE HZ 1.0 0.0 4.81 821 703 A 66 TYR HD% A 63 PRO HB3 1.0 0.0 4.96 822 704 A 66 TYR HD% A 63 PRO HB2 1.0 0.0 5.08 823 705 A 50 TRP HZ3 A 63 PRO HB3 1.0 0.0 5.47 824 706 A 66 TYR HE% A 63 PRO HB3 1.0 0.0 5.50 825 707 A 60 GLY HA2 A 59 ARG HG2 1.0 0.0 5.19 826 707 A 59 ARG HG3 A 60 GLY HA2 1.0 0.0 5.19 827 708 A 22 PRO HB2 A 35 ILE H 1.0 0.0 4.80 828 709 A 36 GLY HA3 A 18 ARG HG2 1.0 0.0 4.94 829 709 A 18 ARG HG3 A 36 GLY HA3 1.0 0.0 4.94 830 710 A 19 ALA HB% A 62 ILE HG2% 1.0 0.0 4.88 831 711 A 31 LEU HD1% A 62 ILE HG2% 1.0 0.0 4.15 832 712 A 62 ILE HG2% A 39 PHE HZ 1.0 0.0 4.46 833 713 A 63 PRO HA A 62 ILE HG2% 1.0 0.0 4.70 834 714 A 62 ILE HD1% A 39 PHE HZ 1.0 0.0 4.95 835 715 A 51 LEU H A 62 ILE HB 1.0 0.0 4.99 836 716 A 21 TYR HD% A 22 PRO HD3 1.0 0.0 5.09 837 717 A 17 ALA HB% A 62 ILE HD1% 1.0 0.0 4.82 838 718 A 31 LEU HB2 A 62 ILE HG2% 1.0 0.0 5.02 839 719 A 61 LEU HD1% A 50 TRP HB2 1.0 0.0 4.70 840 719 A 61 LEU HD1% A 50 TRP HB3 1.0 0.0 4.70 841 720 A 61 LEU HD1% A 61 LEU HA 1.0 0.0 4.72 842 721 A 17 ALA HB% A 18 ARG HA 1.0 0.0 4.91 843 722 A 17 ALA HB% A 67 VAL HA 1.0 0.0 4.54 844 723 A 61 LEU HA A 62 ILE HG13 1.0 0.0 4.80 845 724 A 20 VAL HG2% A 21 TYR HD% 1.0 0.0 3.64 846 725 A 50 TRP HE3 A 50 TRP HB2 1.0 0.0 3.61 847 725 A 50 TRP HB3 A 50 TRP HE3 1.0 0.0 3.61 848 726 A 50 TRP HE3 A 61 LEU HB3 1.0 0.0 3.52 849 727 A 33 PHE HZ A 66 TYR HBy 1.0 0.0 3.93 850 728 A 33 PHE HZ A 66 TYR HBx 1.0 0.0 3.93 851 729 A 62 ILE HG2% A 33 PHE HZ 1.0 0.0 3.68 852 730 A 39 PHE HE% A 55 LEU HB2 1.0 0.0 3.96 853 731 A 50 TRP H A 50 TRP HD1 1.0 0.0 3.76 854 732 A 50 TRP HD1 A 50 TRP HB2 1.0 0.0 3.50 855 732 A 50 TRP HB3 A 50 TRP HD1 1.0 0.0 3.50 856 733 A 63 PRO HB3 A 50 TRP HH2 1.0 0.0 4.28 857 734 A 30 GLU HA A 50 TRP HZ3 1.0 0.0 4.90 858 735 A 50 TRP HZ3 A 63 PRO HDy 1.0 0.0 5.14 859 736 A 61 LEU HB2 A 50 TRP HZ3 1.0 0.0 4.13 860 737 A 66 TYR H A 66 TYR HD% 1.0 0.0 3.86 861 738 A 23 CYS HA A 66 TYR HE% 1.0 0.0 3.76 862 739 A 66 TYR HD% A 21 TYR HD% 1.0 0.0 2.71 863 740 A 21 TYR HD% A 66 TYR HA 1.0 0.0 3.21 864 741 A 21 TYR HD% A 22 PRO HD2 1.0 0.0 3.93 865 742 A 20 VAL HG2% A 21 TYR HE% 1.0 0.0 4.06 866 743 A 39 PHE HD% A 38 ILE HA 1.0 0.0 4.21 867 744 A 39 PHE HD% A 39 PHE HA 1.0 0.0 4.50 868 745 A 39 PHE HD% A 55 LEU HB3 1.0 0.0 4.14 869 746 A 39 PHE HD% A 55 LEU HB2 1.0 0.0 3.80 870 747 A 39 PHE HE% A 55 LEU HD2% 1.0 0.0 3.49 871 748 A 39 PHE HE% A 37 ALA HB% 1.0 0.0 3.92 872 749 A 50 TRP HD1 A 47 GLU HG2 1.0 0.0 3.86 873 749 A 47 GLU HG3 A 50 TRP HD1 1.0 0.0 3.86 874 750 A 47 GLU HB3 A 50 TRP HD1 1.0 0.0 3.46 875 751 A 47 GLU HB2 A 50 TRP HD1 1.0 0.0 3.64 876 752 A 50 TRP HH2 A 30 GLU HG2 1.0 0.0 4.23 877 752 A 30 GLU HG3 A 50 TRP HH2 1.0 0.0 4.23 878 753 A 50 TRP HZ3 A 30 GLU HG2 1.0 0.0 4.38 879 753 A 30 GLU HG3 A 50 TRP HZ3 1.0 0.0 4.38 880 754 A 66 TYR HE% A 65 ASN HB2 1.0 0.0 5.05 881 754 A 65 ASN HB3 A 66 TYR HE% 1.0 0.0 5.05 882 755 A 61 LEU HB3 A 50 TRP HZ3 1.0 0.0 4.45 883 756 A 33 PHE HZ A 63 PRO HDy 1.0 0.0 4.62 884 757 A 12 ILE H A 11 MET HBx 1.0 0.0 4.44 885 757 A 12 ILE H A 11 MET HBy 1.0 0.0 4.44 886 758 A 12 ILE HG2% A 12 ILE HG1x 1.0 0.0 3.28 887 758 A 12 ILE HG2% A 12 ILE HG1y 1.0 0.0 3.28 888 759 A 13 ARG H A 13 ARG HBx 1.0 0.0 3.62 889 759 A 13 ARG H A 13 ARG HBy 1.0 0.0 3.62 890 760 A 13 ARG HBx A 13 ARG HD2 1.0 0.0 3.52 891 760 A 13 ARG HBy A 13 ARG HD2 1.0 0.0 3.52 892 760 A 13 ARG HD3 A 13 ARG HBx 1.0 0.0 3.52 893 760 A 13 ARG HBy A 13 ARG HD3 1.0 0.0 3.52 894 761 A 14 SER H A 13 ARG HBx 1.0 0.0 4.23 895 761 A 14 SER H A 13 ARG HBy 1.0 0.0 4.23 896 762 A 14 SER H A 14 SER HBx 1.0 0.0 3.60 897 762 A 14 SER H A 14 SER HBy 1.0 0.0 3.60 898 763 A 15 ARG H A 14 SER HBx 1.0 0.0 4.16 899 763 A 15 ARG H A 14 SER HBy 1.0 0.0 4.16 900 764 A 15 ARG H A 15 ARG HBy 1.0 0.0 3.28 901 764 A 15 ARG H A 15 ARG HBx 1.0 0.0 3.28 902 765 A 15 ARG H A 15 ARG HGy 1.0 0.0 4.54 903 765 A 15 ARG H A 15 ARG HGx 1.0 0.0 4.54 904 766 A 15 ARG HBy A 15 ARG HD2 1.0 0.0 3.66 905 766 A 15 ARG HD3 A 15 ARG HBy 1.0 0.0 3.66 906 766 A 15 ARG HD3 A 15 ARG HBx 1.0 0.0 3.66 907 766 A 15 ARG HBx A 15 ARG HD2 1.0 0.0 3.66 908 767 A 16 LYS H A 15 ARG HBy 1.0 0.0 3.59 909 767 A 16 LYS H A 15 ARG HBx 1.0 0.0 3.59 910 768 A 42 VAL H A 15 ARG HBy 1.0 0.0 4.28 911 768 A 42 VAL H A 15 ARG HBx 1.0 0.0 4.28 912 769 A 42 VAL HG2% A 15 ARG HBy 1.0 0.0 4.49 913 769 A 42 VAL HG2% A 15 ARG HBx 1.0 0.0 4.49 914 770 A 69 LEU HD1% A 15 ARG HBy 1.0 0.0 4.82 915 770 A 69 LEU HD1% A 15 ARG HBx 1.0 0.0 4.82 916 771 A 69 LEU HD2% A 15 ARG HBy 1.0 0.0 5.34 917 771 A 69 LEU HD2% A 15 ARG HBx 1.0 0.0 5.34 918 772 A 15 ARG HD3 A 69 LEU HBx 1.0 0.0 4.49 919 772 A 15 ARG HD2 A 69 LEU HBx 1.0 0.0 4.49 920 772 A 69 LEU HBy A 15 ARG HD2 1.0 0.0 4.49 921 772 A 15 ARG HD3 A 69 LEU HBy 1.0 0.0 4.49 922 773 A 16 LYS H A 16 LYS HBy 1.0 0.0 3.17 923 773 A 16 LYS H A 16 LYS HBx 1.0 0.0 3.17 924 774 A 17 ALA H A 16 LYS HBy 1.0 0.0 3.37 925 774 A 17 ALA H A 16 LYS HBx 1.0 0.0 3.37 926 775 A 38 ILE HG2% A 16 LYS HBy 1.0 0.0 4.21 927 775 A 38 ILE HG2% A 16 LYS HBx 1.0 0.0 4.21 928 776 A 70 LEU HD1% A 16 LYS HBy 1.0 0.0 3.59 929 776 A 70 LEU HD1% A 16 LYS HBx 1.0 0.0 3.59 930 777 A 17 ALA HA A 70 LEU HBx 1.0 0.0 4.95 931 777 A 17 ALA HA A 70 LEU HBy 1.0 0.0 4.95 932 778 A 18 ARG H A 18 ARG HBx 1.0 0.0 3.32 933 778 A 18 ARG H A 18 ARG HBy 1.0 0.0 3.32 934 779 A 18 ARG HBx A 18 ARG HD2 1.0 0.0 3.60 935 779 A 18 ARG HBy A 18 ARG HD2 1.0 0.0 3.60 936 779 A 18 ARG HD3 A 18 ARG HBx 1.0 0.0 3.60 937 779 A 18 ARG HD3 A 18 ARG HBy 1.0 0.0 3.60 938 780 A 38 ILE HD1% A 18 ARG HBx 1.0 0.0 4.09 939 780 A 38 ILE HD1% A 18 ARG HBy 1.0 0.0 4.09 940 781 A 70 LEU HD2% A 18 ARG HBx 1.0 0.0 4.60 941 781 A 70 LEU HD2% A 18 ARG HBy 1.0 0.0 4.60 942 782 A 21 TYR H A 21 TYR HBx 1.0 0.0 3.47 943 782 A 21 TYR H A 21 TYR HBy 1.0 0.0 3.47 944 783 A 21 TYR H A 66 TYR HBy 1.0 0.0 4.66 945 783 A 21 TYR H A 66 TYR HBx 1.0 0.0 4.66 946 784 A 22 PRO HD2 A 21 TYR HBx 1.0 0.0 3.45 947 784 A 22 PRO HD2 A 21 TYR HBy 1.0 0.0 3.45 948 785 A 22 PRO HD3 A 21 TYR HBx 1.0 0.0 4.19 949 785 A 22 PRO HD3 A 21 TYR HBy 1.0 0.0 4.19 950 786 A 66 TYR HA A 21 TYR HBx 1.0 0.0 4.48 951 786 A 66 TYR HA A 21 TYR HBy 1.0 0.0 4.48 952 787 A 21 TYR HBy A 66 TYR HBy 1.0 0.0 4.26 953 787 A 21 TYR HBx A 66 TYR HBy 1.0 0.0 4.26 954 787 A 66 TYR HBx A 21 TYR HBx 1.0 0.0 4.26 955 787 A 21 TYR HBy A 66 TYR HBx 1.0 0.0 4.26 956 788 A 66 TYR HD% A 21 TYR HBx 1.0 0.0 4.57 957 788 A 66 TYR HD% A 21 TYR HBy 1.0 0.0 4.57 958 789 A 66 TYR HE% A 21 TYR HBx 1.0 0.0 4.64 959 789 A 66 TYR HE% A 21 TYR HBy 1.0 0.0 4.64 960 790 A 35 ILE HD1% A 22 PRO HGy 1.0 0.0 4.31 961 790 A 35 ILE HD1% A 22 PRO HGx 1.0 0.0 4.31 962 791 A 23 CYS H A 23 CYS HBx 1.0 0.0 3.48 963 791 A 23 CYS H A 23 CYS HBy 1.0 0.0 3.48 964 792 A 33 PHE H A 23 CYS HBx 1.0 0.0 3.69 965 792 A 33 PHE H A 23 CYS HBy 1.0 0.0 3.69 966 793 A 33 PHE HD% A 23 CYS HBx 1.0 0.0 4.73 967 793 A 33 PHE HD% A 23 CYS HBy 1.0 0.0 4.73 968 794 A 33 PHE HZ A 23 CYS HBx 1.0 0.0 4.00 969 794 A 33 PHE HZ A 23 CYS HBy 1.0 0.0 4.00 970 795 A 66 TYR HD% A 23 CYS HBx 1.0 0.0 3.88 971 795 A 66 TYR HD% A 23 CYS HBy 1.0 0.0 3.88 972 796 A 66 TYR HE% A 23 CYS HBx 1.0 0.0 3.55 973 796 A 66 TYR HE% A 23 CYS HBy 1.0 0.0 3.55 974 797 A 24 GLU H A 24 GLU HBx 1.0 0.0 3.23 975 797 A 24 GLU H A 24 GLU HBy 1.0 0.0 3.23 976 798 A 24 GLU HA A 32 SER HBy 1.0 0.0 3.90 977 798 A 24 GLU HA A 32 SER HBx 1.0 0.0 3.90 978 799 A 25 ALA H A 24 GLU HBx 1.0 0.0 4.15 979 799 A 25 ALA H A 24 GLU HBy 1.0 0.0 4.15 980 800 A 25 ALA H A 32 SER HBy 1.0 0.0 4.03 981 800 A 25 ALA H A 32 SER HBx 1.0 0.0 4.03 982 801 A 25 ALA HA A 26 GLU HGy 1.0 0.0 5.13 983 801 A 25 ALA HA A 26 GLU HGx 1.0 0.0 5.13 984 802 A 26 GLU HA A 26 GLU HGy 1.0 0.0 3.62 985 802 A 26 GLU HA A 26 GLU HGx 1.0 0.0 3.62 986 803 A 27 HIS H A 26 GLU HGy 1.0 0.0 4.18 987 803 A 27 HIS H A 26 GLU HGx 1.0 0.0 4.18 988 804 A 27 HIS H A 27 HIS HBx 1.0 0.0 3.48 989 804 A 27 HIS H A 27 HIS HBy 1.0 0.0 3.48 990 805 A 29 SER H A 27 HIS HBx 1.0 0.0 4.89 991 805 A 29 SER H A 27 HIS HBy 1.0 0.0 4.89 992 806 A 30 GLU H A 29 SER HBx 1.0 0.0 4.38 993 806 A 30 GLU H A 29 SER HBy 1.0 0.0 4.38 994 807 A 31 LEU HD1% A 58 LYS HGy 1.0 0.0 4.73 995 807 A 31 LEU HD1% A 58 LYS HGx 1.0 0.0 4.73 996 808 A 31 LEU HD2% A 58 LYS HGy 1.0 0.0 3.23 997 808 A 31 LEU HD2% A 58 LYS HGx 1.0 0.0 3.23 998 809 A 32 SER H A 32 SER HBy 1.0 0.0 3.31 999 809 A 32 SER H A 32 SER HBx 1.0 0.0 3.31 1000 810 A 33 PHE H A 32 SER HBy 1.0 0.0 3.58 1001 810 A 33 PHE H A 32 SER HBx 1.0 0.0 3.58 1002 811 A 33 PHE HZ A 63 PRO HGy 1.0 0.0 4.95 1003 811 A 33 PHE HZ A 63 PRO HGx 1.0 0.0 4.95 1004 812 A 33 PHE HZ A 63 PRO HDx 1.0 0.0 3.87 1005 812 A 33 PHE HZ A 63 PRO HDy 1.0 0.0 3.87 1006 813 A 33 PHE HZ A 66 TYR HBy 1.0 0.0 3.17 1007 813 A 33 PHE HZ A 66 TYR HBx 1.0 0.0 3.17 1008 814 A 34 GLU H A 34 GLU HBy 1.0 0.0 3.45 1009 814 A 34 GLU H A 34 GLU HBx 1.0 0.0 3.45 1010 815 A 35 ILE H A 34 GLU HBy 1.0 0.0 3.07 1011 815 A 35 ILE H A 34 GLU HBx 1.0 0.0 3.07 1012 816 A 35 ILE HB A 34 GLU HBy 1.0 0.0 4.38 1013 816 A 35 ILE HB A 34 GLU HBx 1.0 0.0 4.38 1014 817 A 35 ILE H A 34 GLU HGy 1.0 0.0 4.85 1015 817 A 35 ILE H A 34 GLU HGx 1.0 0.0 4.85 1016 818 A 38 ILE H A 38 ILE HG1x 1.0 0.0 3.55 1017 818 A 38 ILE H A 38 ILE HG1y 1.0 0.0 3.55 1018 819 A 38 ILE HG2% A 40 GLU HGy 1.0 0.0 4.69 1019 819 A 38 ILE HG2% A 40 GLU HGx 1.0 0.0 4.69 1020 820 A 40 GLU H A 40 GLU HGy 1.0 0.0 3.81 1021 820 A 40 GLU H A 40 GLU HGx 1.0 0.0 3.81 1022 821 A 41 ASP H A 40 GLU HGy 1.0 0.0 4.40 1023 821 A 41 ASP H A 40 GLU HGx 1.0 0.0 4.40 1024 822 A 43 GLN HE21 A 43 GLN HBx 1.0 0.0 4.87 1025 822 A 43 GLN HBy A 43 GLN HE21 1.0 0.0 4.87 1026 823 A 44 THR H A 43 GLN HBx 1.0 0.0 3.34 1027 823 A 44 THR H A 43 GLN HBy 1.0 0.0 3.34 1028 824 A 45 SER H A 45 SER HBy 1.0 0.0 3.21 1029 824 A 45 SER H A 45 SER HBx 1.0 0.0 3.21 1030 825 A 46 ARG H A 45 SER HBy 1.0 0.0 3.46 1031 825 A 46 ARG H A 45 SER HBx 1.0 0.0 3.46 1032 826 A 47 GLU H A 45 SER HBy 1.0 0.0 3.69 1033 826 A 47 GLU H A 45 SER HBx 1.0 0.0 3.69 1034 827 A 45 SER HBy A 50 TRP HB2 1.0 0.0 3.77 1035 827 A 45 SER HBx A 50 TRP HB2 1.0 0.0 3.77 1036 827 A 50 TRP HB3 A 45 SER HBy 1.0 0.0 3.77 1037 827 A 50 TRP HB3 A 45 SER HBx 1.0 0.0 3.77 1038 828 A 45 SER HBx A 52 GLU HG2 1.0 0.0 3.84 1039 828 A 45 SER HBy A 52 GLU HG2 1.0 0.0 3.84 1040 828 A 52 GLU HG3 A 45 SER HBy 1.0 0.0 3.84 1041 828 A 52 GLU HG3 A 45 SER HBx 1.0 0.0 3.84 1042 829 A 61 LEU HD2% A 45 SER HBy 1.0 0.0 3.42 1043 829 A 61 LEU HD2% A 45 SER HBx 1.0 0.0 3.42 1044 830 A 46 ARG H A 46 ARG HBx 1.0 0.0 3.63 1045 830 A 46 ARG H A 46 ARG HBy 1.0 0.0 3.63 1046 831 A 47 GLU HB3 A 48 PRO HDx 1.0 0.0 3.66 1047 831 A 47 GLU HB3 A 48 PRO HDy 1.0 0.0 3.66 1048 832 A 49 GLY H A 48 PRO HBx 1.0 0.0 3.99 1049 832 A 49 GLY H A 48 PRO HBy 1.0 0.0 3.99 1050 833 A 49 GLY HAy A 64 GLN HB2 1.0 0.0 4.38 1051 833 A 49 GLY HAx A 64 GLN HB2 1.0 0.0 4.38 1052 833 A 64 GLN HB3 A 49 GLY HAx 1.0 0.0 4.38 1053 833 A 64 GLN HB3 A 49 GLY HAy 1.0 0.0 4.38 1054 834 A 50 TRP HZ3 A 63 PRO HDx 1.0 0.0 4.48 1055 834 A 50 TRP HZ3 A 63 PRO HDy 1.0 0.0 4.48 1056 835 A 50 TRP HH2 A 63 PRO HDx 1.0 0.0 4.78 1057 835 A 50 TRP HH2 A 63 PRO HDy 1.0 0.0 4.78 1058 836 A 51 LEU HD1% A 64 GLN HGx 1.0 0.0 3.98 1059 836 A 51 LEU HD1% A 64 GLN HGy 1.0 0.0 3.98 1060 837 A 51 LEU HD2% A 64 GLN HGx 1.0 0.0 4.21 1061 837 A 51 LEU HD2% A 64 GLN HGy 1.0 0.0 4.21 1062 838 A 51 LEU HD2% A 64 GLN HE2y 1.0 0.0 4.79 1063 838 A 51 LEU HD2% A 64 GLN HE2x 1.0 0.0 4.79 1064 839 A 54 THR HA A 59 ARG HBy 1.0 0.0 4.85 1065 839 A 54 THR HA A 59 ARG HBx 1.0 0.0 4.85 1066 840 A 54 THR HG2% A 57 GLY HAy 1.0 0.0 3.63 1067 840 A 54 THR HG2% A 57 GLY HAx 1.0 0.0 3.63 1068 841 A 54 THR HG2% A 59 ARG HBy 1.0 0.0 4.07 1069 841 A 54 THR HG2% A 59 ARG HBx 1.0 0.0 4.07 1070 842 A 55 LEU HG A 56 ASN HBx 1.0 0.0 4.41 1071 842 A 55 LEU HG A 56 ASN HBy 1.0 0.0 4.41 1072 843 A 55 LEU HG A 56 ASN HD2y 1.0 0.0 3.96 1073 843 A 55 LEU HG A 56 ASN HD2x 1.0 0.0 3.96 1074 844 A 55 LEU HD1% A 56 ASN HD2y 1.0 0.0 3.90 1075 844 A 55 LEU HD1% A 56 ASN HD2x 1.0 0.0 3.90 1076 845 A 56 ASN HD2x A 56 ASN HA 1.0 0.0 4.04 1077 845 A 56 ASN HD2y A 56 ASN HA 1.0 0.0 4.04 1078 846 A 56 ASN HD2y A 56 ASN HBy 1.0 0.0 3.03 1079 846 A 56 ASN HD2y A 56 ASN HBx 1.0 0.0 3.03 1080 846 A 56 ASN HD2x A 56 ASN HBy 1.0 0.0 3.03 1081 846 A 56 ASN HD2x A 56 ASN HBx 1.0 0.0 3.03 1082 847 A 58 LYS H A 58 LYS HGy 1.0 0.0 4.23 1083 847 A 58 LYS H A 58 LYS HGx 1.0 0.0 4.23 1084 848 A 59 ARG H A 58 LYS HGy 1.0 0.0 3.49 1085 848 A 59 ARG H A 58 LYS HGx 1.0 0.0 3.49 1086 849 A 59 ARG H A 59 ARG HBy 1.0 0.0 3.13 1087 849 A 59 ARG H A 59 ARG HBx 1.0 0.0 3.13 1088 850 A 59 ARG HA A 59 ARG HDy 1.0 0.0 4.60 1089 850 A 59 ARG HA A 59 ARG HDx 1.0 0.0 4.60 1090 851 A 59 ARG HBx A 59 ARG HDy 1.0 0.0 3.29 1091 851 A 59 ARG HBy A 59 ARG HDy 1.0 0.0 3.29 1092 851 A 59 ARG HDx A 59 ARG HBy 1.0 0.0 3.29 1093 851 A 59 ARG HBx A 59 ARG HDx 1.0 0.0 3.29 1094 852 A 59 ARG HE A 59 ARG HBy 1.0 0.0 4.53 1095 852 A 59 ARG HE A 59 ARG HBx 1.0 0.0 4.53 1096 853 A 62 ILE HG2% A 63 PRO HDx 1.0 0.0 3.40 1097 853 A 62 ILE HG2% A 63 PRO HDy 1.0 0.0 3.40 1098 854 A 62 ILE HG2% A 66 TYR HBy 1.0 0.0 5.34 1099 854 A 62 ILE HG2% A 66 TYR HBx 1.0 0.0 5.34 1100 855 A 63 PRO HB2 A 66 TYR HBy 1.0 0.0 4.41 1101 855 A 63 PRO HB2 A 66 TYR HBx 1.0 0.0 4.41 1102 856 A 63 PRO HGy A 66 TYR HBy 1.0 0.0 4.70 1103 856 A 63 PRO HGx A 66 TYR HBy 1.0 0.0 4.70 1104 856 A 66 TYR HBx A 63 PRO HGy 1.0 0.0 4.70 1105 856 A 66 TYR HBx A 63 PRO HGx 1.0 0.0 4.70 1106 857 A 66 TYR HD% A 63 PRO HGy 1.0 0.0 3.91 1107 857 A 66 TYR HD% A 63 PRO HGx 1.0 0.0 3.91 1108 858 A 66 TYR HE% A 63 PRO HGy 1.0 0.0 3.75 1109 858 A 66 TYR HE% A 63 PRO HGx 1.0 0.0 3.75 1110 859 A 64 GLN H A 64 GLN HGx 1.0 0.0 4.07 1111 859 A 64 GLN H A 64 GLN HGy 1.0 0.0 4.07 1112 860 A 64 GLN HA A 64 GLN HGx 1.0 0.0 3.69 1113 860 A 64 GLN HA A 64 GLN HGy 1.0 0.0 3.69 1114 861 A 64 GLN HE2x A 64 GLN HGx 1.0 0.0 3.13 1115 861 A 64 GLN HE2y A 64 GLN HGx 1.0 0.0 3.13 1116 861 A 64 GLN HGy A 64 GLN HE2y 1.0 0.0 3.13 1117 861 A 64 GLN HGy A 64 GLN HE2x 1.0 0.0 3.13 1118 862 A 66 TYR H A 66 TYR HBy 1.0 0.0 3.12 1119 862 A 66 TYR H A 66 TYR HBx 1.0 0.0 3.12 1120 863 A 67 VAL HG1% A 66 TYR HBy 1.0 0.0 3.79 1121 863 A 67 VAL HG1% A 66 TYR HBx 1.0 0.0 3.79 1122 864 A 69 LEU H A 69 LEU HBx 1.0 0.0 3.05 1123 864 A 69 LEU H A 69 LEU HBy 1.0 0.0 3.05 1124 865 A 70 LEU H A 69 LEU HBx 1.0 0.0 3.80 1125 865 A 70 LEU H A 69 LEU HBy 1.0 0.0 3.80 1126 866 A 70 LEU HD1% A 70 LEU HBx 1.0 0.0 3.12 1127 866 A 70 LEU HD1% A 70 LEU HBy 1.0 0.0 3.12 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 14 SER C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -132.4 -63.8 PHI 2 2 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 LYS N 1.0 111.3 167.3 PSI 3 3 A 15 ARG C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -159.0 -101.4 PHI 4 4 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 ALA N 1.0 126.2 178.2 PSI 5 5 A 16 LYS C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -159.5 -132.7 PHI 6 6 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 ARG N 1.0 140.1 165.7 PSI 7 7 A 17 ALA C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -139.9 -96.3 PHI 8 8 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 ALA N 1.0 120.9 143.9 PSI 9 9 A 18 ARG C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -94.9 -52.5 PHI 10 10 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 VAL N 1.0 117.1 144.1 PSI 11 11 A 19 ALA C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -117.7 -67.3 PHI 12 12 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 TYR N 1.0 -33.5 7.1 PSI 13 13 A 20 VAL C A 21 TYR N A 21 TYR CA A 21 TYR C 1.0 -163.0 -97.8 PHI 14 14 A 21 TYR N A 21 TYR CA A 21 TYR C A 22 PRO N 1.0 115.9 175.5 PSI 15 15 A 37 ALA C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -125.5 -83.1 PHI 16 16 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 PHE N 1.0 113.9 144.5 PSI 17 17 A 38 ILE C A 39 PHE N A 39 PHE CA A 39 PHE C 1.0 -140.1 -94.9 PHI 18 18 A 39 PHE N A 39 PHE CA A 39 PHE C A 40 GLU N 1.0 120.3 161.7 PSI 19 19 A 39 PHE C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -168.1 -92.3 PHI 20 20 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 ASP N 1.0 135.7 180.3 PSI 21 21 A 40 GLU C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 46.3 66.3 PHI 22 22 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 VAL N 1.0 26.8 69.0 PSI 23 23 A 41 ASP C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -104.7 -57.9 PHI 24 24 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 GLN N 1.0 108.5 148.9 PSI 25 25 A 42 VAL C A 43 GLN N A 43 GLN CA A 43 GLN C 1.0 -152.9 -111.9 PHI 26 26 A 43 GLN N A 43 GLN CA A 43 GLN C A 44 THR N 1.0 122.8 174.2 PSI 27 27 A 49 GLY C A 50 TRP N A 50 TRP CA A 50 TRP C 1.0 -152.4 -48.8 PHI 28 28 A 50 TRP N A 50 TRP CA A 50 TRP C A 51 LEU N 1.0 122.0 166.8 PSI 29 29 A 50 TRP C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -136.9 -95.5 PHI 30 30 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 GLU N 1.0 105.7 155.5 PSI 31 31 A 51 LEU C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -163.1 -103.7 PHI 32 32 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 GLY N 1.0 122.5 164.1 PSI 33 33 A 53 GLY C A 54 THR N A 54 THR CA A 54 THR C 1.0 -151.5 -81.3 PHI 34 34 A 54 THR N A 54 THR CA A 54 THR C A 55 LEU N 1.0 109.4 152.0 PSI 35 35 A 54 THR C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -143.1 -113.1 PHI 36 36 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 ASN N 1.0 107.2 135.8 PSI 37 37 A 57 GLY C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -126.9 -88.7 PHI 38 38 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 ARG N 1.0 114.2 149.4 PSI 39 39 A 58 LYS C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -133.0 -72.0 PHI 40 40 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 GLY N 1.0 123.5 150.7 PSI 41 41 A 59 ARG C A 60 GLY N A 60 GLY CA A 60 GLY C 1.0 -217.7 -132.1 PHI 42 42 A 60 GLY N A 60 GLY CA A 60 GLY C A 61 LEU N 1.0 145.9 213.5 PSI 43 43 A 60 GLY C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -123.1 -69.3 PHI 44 44 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 ILE N 1.0 118.1 157.3 PSI 45 45 A 61 LEU C A 62 ILE N A 62 ILE CA A 62 ILE C 1.0 -154.5 -121.1 PHI 46 46 A 62 ILE N A 62 ILE CA A 62 ILE C A 63 PRO N 1.0 133.7 170.5 PSI 47 47 A 66 TYR C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -142.9 -120.9 PHI 48 48 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 LYS N 1.0 147.1 167.1 PSI 49 49 A 67 VAL C A 68 LYS N A 68 LYS CA A 68 LYS C 1.0 -145.0 -96.8 PHI 50 50 A 68 LYS N A 68 LYS CA A 68 LYS C A 69 LEU N 1.0 108.8 151.2 PSI 51 51 A 68 LYS C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -90.9 -56.9 PHI 52 52 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 LEU N 1.0 110.2 141.6 PSI 53 53 A 16 LYS N A 16 LYS CA A 16 LYS CB A 16 LYS CG 1.0 -90.0 -30.0 CHI1 54 54 A 20 VAL N A 20 VAL CA A 20 VAL CB A 20 VAL CG1 1.0 -90.0 -30.0 CHI1 55 55 A 38 ILE N A 38 ILE CA A 38 ILE CB A 38 ILE CG1 1.0 -90.0 -30.0 CHI1 56 56 A 39 PHE N A 39 PHE CA A 39 PHE CB A 39 PHE CG 1.0 -90.0 -30.0 CHI1 57 57 A 40 GLU N A 40 GLU CA A 40 GLU CB A 40 GLU CG 1.0 -90.0 -30.0 CHI1 58 58 A 42 VAL N A 42 VAL CA A 42 VAL CB A 42 VAL CG1 1.0 150.0 210.0 CHI1 59 59 A 43 GLN N A 43 GLN CA A 43 GLN CB A 43 GLN CG 1.0 -90.0 -30.0 CHI1 60 60 A 44 THR N A 44 THR CA A 44 THR CB A 44 THR OG1 1.0 -90.0 -30.0 CHI1 61 61 A 50 TRP N A 50 TRP CA A 50 TRP CB A 50 TRP CG 1.0 -90.0 -30.0 CHI1 62 62 A 51 LEU N A 51 LEU CA A 51 LEU CB A 51 LEU CG 1.0 -90.0 -30.0 CHI1 63 63 A 54 THR N A 54 THR CA A 54 THR CB A 54 THR OG1 1.0 -90.0 -30.0 CHI1 64 64 A 61 LEU N A 61 LEU CA A 61 LEU CB A 61 LEU CG 1.0 -90.0 -30.0 CHI1 65 65 A 67 VAL N A 67 VAL CA A 67 VAL CB A 67 VAL CG1 1.0 -90.0 -30.0 CHI1 stop_ save_ save_cali _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode cali _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 . 1H . 2 . 13C . 3 . 15N . stop_ save_ save_caro _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode caro _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 . 1H . 2 . 13C . 3 . 15N . stop_ save_ save_n _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode n _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 . 1H . 2 . 13C . 3 . 15N . stop_ save_